N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide

C15H13Cl2N3O2S — CID 46114064

IUPACN-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H13Cl2N3O2S/c16-9-3-4-10(11(17)5-9)13(21)20-15-19-12(7-23-15)14(22)18-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,18,22)(H,19,20,21)
InChIKeyVKNPXSNWNYQOIX-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.84
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide

N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 46114064) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID46114064
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC NameN-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H13Cl2N3O2S/c16-9-3-4-10(11(17)5-9)13(21)20-15-19-12(7-23-15)14(22)18-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,18,22)(H,19,20,21)
InChIKeyVKNPXSNWNYQOIX-UHFFFAOYSA-N
XLogP3.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46114059
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 32866960
2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726565
2-[(2-chlorobenzoyl)amino]-N-hydroxy-1,3-thiazole-4-carboxamide
CID 156904198
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915314
N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
CID 47450057
2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46114112
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 53161135
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 46114064) is N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide is O=C(NCC1CC1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is VKNPXSNWNYQOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c16-9-3-4-10(11(17)5-9)13(21)20-15-19-12(7-23-15)14(22)18-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 370.26 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46114064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).