2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane

C88H116Cl8N44O19S8 — CID 172928893

IUPAC2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane
SMILESCCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC.CN(C)/C(=N\C#N)N(C)Cc1ccc(Cl)nc1.CN/C(=N\[N+](=O)[O-])NCC1CCOC1.CN/C(=N\[N+](=O)[O-])NCc1ccc(Cl)nc1.CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1.CSCCN1CCNC1=C[N+](=O)[O-].N#C/N=C1\SCCN1Cc1cnc(Cl)s1.O=[N+]([O-])/C=C1\NCCN1Cc1cnc(Cl)s1.O=[N+]([O-])/C=C1\SCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCCN1Cc1cnc(Cl)s1.O=[N+]([O-])C=C1NCCCS1
InChIInChI=1S/C11H14ClN5.C11H15ClN4O2.C10H10ClN3O2S.C8H10ClN5O2.C8H9ClN4O2S.C8H7ClN4S2.C7H8ClN5O2S.C7H14N4O3.C7H13N3O2S.C6H8ClN5O2S.C5H8N2O2S/c1-16(2)11(15-8-13)17(3)7-9-4-5-10(12)14-6-9;1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9;11-9-2-1-8(5-12-9)6-13-3-4-17-10(13)7-14(15)16;1-10-8(13-14(15)16)12-5-6-2-3-7(9)11-4-6;9-8-11-3-6(16-8)4-12-2-1-10-7(12)5-13(14)15;9-7-11-3-6(15-7)4-13-1-2-14-8(13)12-5-10;8-6-10-3-5(16-6)4-12-2-1-9-7(12)11-13(14)15;1-8-7(10-11(12)13)9-4-6-2-3-14-5-6;1-13-5-4-9-3-2-8-7(9)6-10(11)12;1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4;8-7(9)4-5-6-2-1-3-10-5/h4-6H,7H2,1-3H3;4-6,8,13H,3,7H2,1-2H3;1-2,5,7H,3-4,6H2;2-4H,5H2,1H3,(H2,10,12,13);3,5,10H,1-2,4H2;3H,1-2,4H2;3H,1-2,4H2,(H,9,11);6H,2-5H2,1H3,(H2,8,9,10);6,8H,2-5H2,1H3;2H,3H2,1H3,(H2,8,10,11);4,6H,1-3H2/b15-11+;11-8+;10-7-;;7-5+;12-8-;;;;;
InChIKeyOBNLFRGKSCJSNE-WMDHSQEHSA-N
MW2634.34 g/mol
LogP11.73
Rot. Bonds33

About 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane

2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane (PubChem CID 172928893) has the molecular formula C88H116Cl8N44O19S8 and a molecular weight of 2634.34 g/mol. Its IUPAC name is 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane.

Molecular Properties

Compound Name2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane
PubChem CID172928893
Molecular FormulaC88H116Cl8N44O19S8
Molecular Weight2634.34 g/mol
Exact Mass2628.47
IUPAC Name2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane
SMILESCCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC.CN(C)/C(=N\C#N)N(C)Cc1ccc(Cl)nc1.CN/C(=N\[N+](=O)[O-])NCC1CCOC1.CN/C(=N\[N+](=O)[O-])NCc1ccc(Cl)nc1.CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1.CSCCN1CCNC1=C[N+](=O)[O-].N#C/N=C1\SCCN1Cc1cnc(Cl)s1.O=[N+]([O-])/C=C1\NCCN1Cc1cnc(Cl)s1.O=[N+]([O-])/C=C1\SCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCCN1Cc1cnc(Cl)s1.O=[N+]([O-])C=C1NCCCS1
InChIInChI=1S/C11H14ClN5.C11H15ClN4O2.C10H10ClN3O2S.C8H10ClN5O2.C8H9ClN4O2S.C8H7ClN4S2.C7H8ClN5O2S.C7H14N4O3.C7H13N3O2S.C6H8ClN5O2S.C5H8N2O2S/c1-16(2)11(15-8-13)17(3)7-9-4-5-10(12)14-6-9;1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9;11-9-2-1-8(5-12-9)6-13-3-4-17-10(13)7-14(15)16;1-10-8(13-14(15)16)12-5-6-2-3-7(9)11-4-6;9-8-11-3-6(16-8)4-12-2-1-10-7(12)5-13(14)15;9-7-11-3-6(15-7)4-13-1-2-14-8(13)12-5-10;8-6-10-3-5(16-6)4-12-2-1-9-7(12)11-13(14)15;1-8-7(10-11(12)13)9-4-6-2-3-14-5-6;1-13-5-4-9-3-2-8-7(9)6-10(11)12;1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4;8-7(9)4-5-6-2-1-3-10-5/h4-6H,7H2,1-3H3;4-6,8,13H,3,7H2,1-2H3;1-2,5,7H,3-4,6H2;2-4H,5H2,1H3,(H2,10,12,13);3,5,10H,1-2,4H2;3H,1-2,4H2;3H,1-2,4H2,(H,9,11);6H,2-5H2,1H3,(H2,8,9,10);6,8H,2-5H2,1H3;2H,3H2,1H3,(H2,8,10,11);4,6H,1-3H2/b15-11+;11-8+;10-7-;;7-5+;12-8-;;;;;
InChIKeyOBNLFRGKSCJSNE-WMDHSQEHSA-N
XLogP11.73
TPSA780.60 Ų
H-Bond Donors11
H-Bond Acceptors47
Rotatable Bonds33
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002634.34
LogP ≤ 511.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane?
The IUPAC name of 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane (CID 172928893) is 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane.
What is the SMILES notation for 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane?
The canonical SMILES for 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane is CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC.CN(C)/C(=N\C#N)N(C)Cc1ccc(Cl)nc1.CN/C(=N\[N+](=O)[O-])NCC1CCOC1.CN/C(=N\[N+](=O)[O-])NCc1ccc(Cl)nc1.CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1.CSCCN1CCNC1=C[N+](=O)[O-].N#C/N=C1\SCCN1Cc1cnc(Cl)s1.O=[N+]([O-])/C=C1\NCCN1Cc1cnc(Cl)s1.O=[N+]([O-])/C=C1\SCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCCN1Cc1cnc(Cl)s1.O=[N+]([O-])C=C1NCCCS1.
What is the InChIKey of 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane?
The InChIKey is OBNLFRGKSCJSNE-WMDHSQEHSA-N. The full InChI is InChI=1S/C11H14ClN5.C11H15ClN4O2.C10H10ClN3O2S.C8H10ClN5O2.C8H9ClN4O2S.C8H7ClN4S2.C7H8ClN5O2S.C7H14N4O3.C7H13N3O2S.C6H8ClN5O2S.C5H8N2O2S/c1-16(2)11(15-8-13)17(3)7-9-4-5-10(12)14-6-9;1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9;11-9-2-1-8(5-12-9)6-13-3-4-17-10(13)7-14(15)16;1-10-8(13-14(15)16)12-5-6-2-3-7(9)11-4-6;9-8-11-3-6(16-8)4-12-2-1-10-7(12)5-13(14)15;9-7-11-3-6(15-7)4-13-1-2-14-8(13)12-5-10;8-6-10-3-5(16-6)4-12-2-1-9-7(12)11-13(14)15;1-8-7(10-11(12)13)9-4-6-2-3-14-5-6;1-13-5-4-9-3-2-8-7(9)6-10(11)12;1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4;8-7(9)4-5-6-2-1-3-10-5/h4-6H,7H2,1-3H3;4-6,8,13H,3,7H2,1-2H3;1-2,5,7H,3-4,6H2;2-4H,5H2,1H3,(H2,10,12,13);3,5,10H,1-2,4H2;3H,1-2,4H2;3H,1-2,4H2,(H,9,11);6H,2-5H2,1H3,(H2,8,9,10);6,8H,2-5H2,1H3;2H,3H2,1H3,(H2,8,10,11);4,6H,1-3H2/b15-11+;11-8+;10-7-;;7-5+;12-8-;;;;;.
What are the key properties of 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane?
2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane has a molecular weight of 2634.34 g/mol, XLogP of 11.73, 33 rotatable bonds, 11 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane is sourced from PubChem (CID 172928893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).