N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine

C88H100Cl4F3N33O9S4 — CID 158223997

IUPACN-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine
SMILESC=NCc1nc2ccccc2o1.C=NNC(=O)C(C)=O.C=NNC(=O)C1CC1.C=NNC(=O)c1cc(C)nc(Cl)c1.C=NNC(=O)c1ccc2ccccc2n1.C=NNC(=O)c1ccnc(Cl)c1.C=NNC(=S)N1CCCC1.C=NNc1ccc(C)c(C(F)(F)F)c1.C=NNc1cccc(C)n1.C=NNc1ccnc(Cl)c1.C=NNc1nc(C)cs1.C=NOCc1ncc(C)s1.C=NOCc1ncc(Cl)s1
InChIInChI=1S/C11H9N3O.C9H9F3N2.C9H8N2O.C8H8ClN3O.C7H6ClN3O.C7H9N3.C6H6ClN3.C6H11N3S.C6H8N2OS.C5H5ClN2OS.C5H7N3S.C5H8N2O.C4H6N2O2/c1-12-14-11(15)10-7-6-8-4-2-3-5-9(8)13-10;1-6-3-4-7(14-13-2)5-8(6)9(10,11)12;1-10-6-9-11-7-4-2-3-5-8(7)12-9;1-5-3-6(4-7(9)11-5)8(13)12-10-2;1-9-11-7(12)5-2-3-10-6(8)4-5;1-6-4-3-5-7(9-6)10-8-2;1-8-10-5-2-3-9-6(7)4-5;1-7-8-6(10)9-4-2-3-5-9;1-5-3-8-6(10-5)4-9-7-2;1-7-9-3-5-8-2-4(6)10-5;1-4-3-9-5(7-4)8-6-2;1-6-7-5(8)4-2-3-4;1-3(7)4(8)6-5-2/h2-7H,1H2,(H,14,15);3-5,14H,2H2,1H3;2-5H,1,6H2;3-4H,2H2,1H3,(H,12,13);2-4H,1H2,(H,11,12);3-5H,2H2,1H3,(H,9,10);2-4H,1H2,(H,9,10);1-5H2,(H,8,10);3H,2,4H2,1H3;2H,1,3H2;3H,2H2,1H3,(H,7,8);4H,1-3H2,(H,7,8);2H2,1H3,(H,6,8)
InChIKeyGDOTVAYSUXRIJT-UHFFFAOYSA-N
MW2091.06 g/mol
LogP17.30
Rot. Bonds27

About N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine

N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine (PubChem CID 158223997) has the molecular formula C88H100Cl4F3N33O9S4 and a molecular weight of 2091.06 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine
PubChem CID158223997
Molecular FormulaC88H100Cl4F3N33O9S4
Molecular Weight2091.06 g/mol
Exact Mass2087.60
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine
SMILESC=NCc1nc2ccccc2o1.C=NNC(=O)C(C)=O.C=NNC(=O)C1CC1.C=NNC(=O)c1cc(C)nc(Cl)c1.C=NNC(=O)c1ccc2ccccc2n1.C=NNC(=O)c1ccnc(Cl)c1.C=NNC(=S)N1CCCC1.C=NNc1ccc(C)c(C(F)(F)F)c1.C=NNc1cccc(C)n1.C=NNc1ccnc(Cl)c1.C=NNc1nc(C)cs1.C=NOCc1ncc(C)s1.C=NOCc1ncc(Cl)s1
InChIInChI=1S/C11H9N3O.C9H9F3N2.C9H8N2O.C8H8ClN3O.C7H6ClN3O.C7H9N3.C6H6ClN3.C6H11N3S.C6H8N2OS.C5H5ClN2OS.C5H7N3S.C5H8N2O.C4H6N2O2/c1-12-14-11(15)10-7-6-8-4-2-3-5-9(8)13-10;1-6-3-4-7(14-13-2)5-8(6)9(10,11)12;1-10-6-9-11-7-4-2-3-5-8(7)12-9;1-5-3-6(4-7(9)11-5)8(13)12-10-2;1-9-11-7(12)5-2-3-10-6(8)4-5;1-6-4-3-5-7(9-6)10-8-2;1-8-10-5-2-3-9-6(7)4-5;1-7-8-6(10)9-4-2-3-5-9;1-5-3-8-6(10-5)4-9-7-2;1-7-9-3-5-8-2-4(6)10-5;1-4-3-9-5(7-4)8-6-2;1-6-7-5(8)4-2-3-4;1-3(7)4(8)6-5-2/h2-7H,1H2,(H,14,15);3-5,14H,2H2,1H3;2-5H,1,6H2;3-4H,2H2,1H3,(H,12,13);2-4H,1H2,(H,11,12);3-5H,2H2,1H3,(H,9,10);2-4H,1H2,(H,9,10);1-5H2,(H,8,10);3H,2,4H2,1H3;2H,1,3H2;3H,2H2,1H3,(H,7,8);4H,1-3H2,(H,7,8);2H2,1H3,(H,6,8)
InChIKeyGDOTVAYSUXRIJT-UHFFFAOYSA-N
XLogP17.30
TPSA534.25 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds27
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002091.06
LogP ≤ 517.30
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine (CID 158223997) is N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine is C=NCc1nc2ccccc2o1.C=NNC(=O)C(C)=O.C=NNC(=O)C1CC1.C=NNC(=O)c1cc(C)nc(Cl)c1.C=NNC(=O)c1ccc2ccccc2n1.C=NNC(=O)c1ccnc(Cl)c1.C=NNC(=S)N1CCCC1.C=NNc1ccc(C)c(C(F)(F)F)c1.C=NNc1cccc(C)n1.C=NNc1ccnc(Cl)c1.C=NNc1nc(C)cs1.C=NOCc1ncc(C)s1.C=NOCc1ncc(Cl)s1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine?
The InChIKey is GDOTVAYSUXRIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O.C9H9F3N2.C9H8N2O.C8H8ClN3O.C7H6ClN3O.C7H9N3.C6H6ClN3.C6H11N3S.C6H8N2OS.C5H5ClN2OS.C5H7N3S.C5H8N2O.C4H6N2O2/c1-12-14-11(15)10-7-6-8-4-2-3-5-9(8)13-10;1-6-3-4-7(14-13-2)5-8(6)9(10,11)12;1-10-6-9-11-7-4-2-3-5-8(7)12-9;1-5-3-6(4-7(9)11-5)8(13)12-10-2;1-9-11-7(12)5-2-3-10-6(8)4-5;1-6-4-3-5-7(9-6)10-8-2;1-8-10-5-2-3-9-6(7)4-5;1-7-8-6(10)9-4-2-3-5-9;1-5-3-8-6(10-5)4-9-7-2;1-7-9-3-5-8-2-4(6)10-5;1-4-3-9-5(7-4)8-6-2;1-6-7-5(8)4-2-3-4;1-3(7)4(8)6-5-2/h2-7H,1H2,(H,14,15);3-5,14H,2H2,1H3;2-5H,1,6H2;3-4H,2H2,1H3,(H,12,13);2-4H,1H2,(H,11,12);3-5H,2H2,1H3,(H,9,10);2-4H,1H2,(H,9,10);1-5H2,(H,8,10);3H,2,4H2,1H3;2H,1,3H2;3H,2H2,1H3,(H,7,8);4H,1-3H2,(H,7,8);2H2,1H3,(H,6,8).
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine?
N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine has a molecular weight of 2091.06 g/mol, XLogP of 17.30, 27 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)methanimine;2-chloro-N-(methylideneamino)pyridin-4-amine;2-chloro-N-(methylideneamino)pyridine-4-carboxamide;2-chloro-6-methyl-N-(methylideneamino)pyridine-4-carboxamide;N-[(5-chloro-1,3-thiazol-2-yl)methoxy]methanimine;N-(methylideneamino)cyclopropanecarboxamide;N-(methylideneamino)-2-oxopropanamide;N-(methylideneamino)pyrrolidine-1-carbothioamide;N-(methylideneamino)quinoline-2-carboxamide;6-methyl-N-(methylideneamino)pyridin-2-amine;4-methyl-N-(methylideneamino)-1,3-thiazol-2-amine;4-methyl-N-(methylideneamino)-3-(trifluoromethyl)aniline;N-[(5-methyl-1,3-thiazol-2-yl)methoxy]methanimine is sourced from PubChem (CID 158223997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).