2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide

C14H13Cl2N3O2S — CID 1196047

IUPAC2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(CN(C)C(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H13Cl2N3O2S/c1-17-13(20)11-7-22-12(18-11)6-19(2)14(21)9-4-3-8(15)5-10(9)16/h3-5,7H,6H2,1-2H3,(H,17,20)
InChIKeyYPEQPZCJGIIYDM-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.08
Rot. Bonds4

About 2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide

2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 1196047) has the molecular formula C14H13Cl2N3O2S and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID1196047
Molecular FormulaC14H13Cl2N3O2S
Molecular Weight358.25 g/mol
Exact Mass357.01
IUPAC Name2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(CN(C)C(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H13Cl2N3O2S/c1-17-13(20)11-7-22-12(18-11)6-19(2)14(21)9-4-3-8(15)5-10(9)16/h3-5,7H,6H2,1-2H3,(H,17,20)
InChIKeyYPEQPZCJGIIYDM-UHFFFAOYSA-N
XLogP3.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[[butyl-(2,4-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4587471
N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 42765712
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86783345
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide
CID 74234317
2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359542
2-[[(2,4-dichlorophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 5192628
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607
2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19581466

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 1196047) is 2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(CN(C)C(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is YPEQPZCJGIIYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2S/c1-17-13(20)11-7-22-12(18-11)6-19(2)14(21)9-4-3-8(15)5-10(9)16/h3-5,7H,6H2,1-2H3,(H,17,20).
What are the key properties of 2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 358.25 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1196047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).