N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine

C71H102N18O12S6 — CID 159821345

IUPACN,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine
SMILESC.CCN(CC)CC.CCOC(=O)Nc1ncc(C=O)s1.CNC.COC(=O)Nc1ncc(/C=C2\S/C(=N/c3ccc(OCCN(C)C)cc3C)NC2=O)s1.Cc1cc(OCCN(C)C)ccc1/N=C1/NC(=O)CS1.Cc1cc(OCCN(C)C)ccc1/N=C1\NC(=O)/C(=C/c2cnc(NC(=O)N(C)C)s2)S1
InChIInChI=1S/C21H26N6O3S2.C20H23N5O4S2.C14H19N3O2S.C7H8N2O3S.C6H15N.C2H7N.CH4/c1-13-10-14(30-9-8-26(2)3)6-7-16(13)23-20-24-18(28)17(32-20)11-15-12-22-19(31-15)25-21(29)27(4)5;1-12-9-13(29-8-7-25(2)3)5-6-15(12)22-19-23-17(26)16(31-19)10-14-11-21-18(30-14)24-20(27)28-4;1-10-8-11(19-7-6-17(2)3)4-5-12(10)15-14-16-13(18)9-20-14;1-2-12-7(11)9-6-8-3-5(4-10)13-6;1-4-7(5-2)6-3;1-3-2;/h6-7,10-12H,8-9H2,1-5H3,(H,22,25,29)(H,23,24,28);5-6,9-11H,7-8H2,1-4H3,(H,21,24,27)(H,22,23,26);4-5,8H,6-7,9H2,1-3H3,(H,15,16,18);3-4H,2H2,1H3,(H,8,9,11);4-6H2,1-3H3;3H,1-2H3;1H4/b17-11-;16-10-;;;;;
InChIKeyNMGWMYLXALBHLN-CUZMJAGPSA-N
MW1592.11 g/mol
LogP11.97
Rot. Bonds25

About N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine

N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine (PubChem CID 159821345) has the molecular formula C71H102N18O12S6 and a molecular weight of 1592.11 g/mol. Its IUPAC name is N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine.

Molecular Properties

Compound NameN,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine
PubChem CID159821345
Molecular FormulaC71H102N18O12S6
Molecular Weight1592.11 g/mol
Exact Mass1590.62
IUPAC NameN,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine
SMILESC.CCN(CC)CC.CCOC(=O)Nc1ncc(C=O)s1.CNC.COC(=O)Nc1ncc(/C=C2\S/C(=N/c3ccc(OCCN(C)C)cc3C)NC2=O)s1.Cc1cc(OCCN(C)C)ccc1/N=C1/NC(=O)CS1.Cc1cc(OCCN(C)C)ccc1/N=C1\NC(=O)/C(=C/c2cnc(NC(=O)N(C)C)s2)S1
InChIInChI=1S/C21H26N6O3S2.C20H23N5O4S2.C14H19N3O2S.C7H8N2O3S.C6H15N.C2H7N.CH4/c1-13-10-14(30-9-8-26(2)3)6-7-16(13)23-20-24-18(28)17(32-20)11-15-12-22-19(31-15)25-21(29)27(4)5;1-12-9-13(29-8-7-25(2)3)5-6-15(12)22-19-23-17(26)16(31-19)10-14-11-21-18(30-14)24-20(27)28-4;1-10-8-11(19-7-6-17(2)3)4-5-12(10)15-14-16-13(18)9-20-14;1-2-12-7(11)9-6-8-3-5(4-10)13-6;1-4-7(5-2)6-3;1-3-2;/h6-7,10-12H,8-9H2,1-5H3,(H,22,25,29)(H,23,24,28);5-6,9-11H,7-8H2,1-4H3,(H,21,24,27)(H,22,23,26);4-5,8H,6-7,9H2,1-3H3,(H,15,16,18);3-4H,2H2,1H3,(H,8,9,11);4-6H2,1-3H3;3H,1-2H3;1H4/b17-11-;16-10-;;;;;
InChIKeyNMGWMYLXALBHLN-CUZMJAGPSA-N
XLogP11.97
TPSA341.80 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001592.11
LogP ≤ 511.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine?
The IUPAC name of N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine (CID 159821345) is N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine.
What is the SMILES notation for N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine?
The canonical SMILES for N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine is C.CCN(CC)CC.CCOC(=O)Nc1ncc(C=O)s1.CNC.COC(=O)Nc1ncc(/C=C2\S/C(=N/c3ccc(OCCN(C)C)cc3C)NC2=O)s1.Cc1cc(OCCN(C)C)ccc1/N=C1/NC(=O)CS1.Cc1cc(OCCN(C)C)ccc1/N=C1\NC(=O)/C(=C/c2cnc(NC(=O)N(C)C)s2)S1.
What is the InChIKey of N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine?
The InChIKey is NMGWMYLXALBHLN-CUZMJAGPSA-N. The full InChI is InChI=1S/C21H26N6O3S2.C20H23N5O4S2.C14H19N3O2S.C7H8N2O3S.C6H15N.C2H7N.CH4/c1-13-10-14(30-9-8-26(2)3)6-7-16(13)23-20-24-18(28)17(32-20)11-15-12-22-19(31-15)25-21(29)27(4)5;1-12-9-13(29-8-7-25(2)3)5-6-15(12)22-19-23-17(26)16(31-19)10-14-11-21-18(30-14)24-20(27)28-4;1-10-8-11(19-7-6-17(2)3)4-5-12(10)15-14-16-13(18)9-20-14;1-2-12-7(11)9-6-8-3-5(4-10)13-6;1-4-7(5-2)6-3;1-3-2;/h6-7,10-12H,8-9H2,1-5H3,(H,22,25,29)(H,23,24,28);5-6,9-11H,7-8H2,1-4H3,(H,21,24,27)(H,22,23,26);4-5,8H,6-7,9H2,1-3H3,(H,15,16,18);3-4H,2H2,1H3,(H,8,9,11);4-6H2,1-3H3;3H,1-2H3;1H4/b17-11-;16-10-;;;;;.
What are the key properties of N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine?
N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine has a molecular weight of 1592.11 g/mol, XLogP of 11.97, 25 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;3-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea;2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-1,3-thiazolidin-4-one;ethyl N-(5-formyl-1,3-thiazol-2-yl)carbamate;methane;methyl N-[5-[(Z)-[2-[4-[2-(dimethylamino)ethoxy]-2-methylphenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]carbamate;N-methylmethanamine is sourced from PubChem (CID 159821345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).