2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C18H16ClN5O2S — CID 16897453

IUPAC2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccccn1
InChIInChI=1S/C18H16ClN5O2S/c1-11-15(16(25)21-10-14-6-2-3-8-20-14)27-18(22-11)24-17(26)23-13-7-4-5-12(19)9-13/h2-9H,10H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyMOEZJPBYSKVGLB-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.07
Rot. Bonds5

About 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 16897453) has the molecular formula C18H16ClN5O2S and a molecular weight of 401.88 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID16897453
Molecular FormulaC18H16ClN5O2S
Molecular Weight401.88 g/mol
Exact Mass401.07
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccccn1
InChIInChI=1S/C18H16ClN5O2S/c1-11-15(16(25)21-10-14-6-2-3-8-20-14)27-18(22-11)24-17(26)23-13-7-4-5-12(19)9-13/h2-9H,10H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyMOEZJPBYSKVGLB-UHFFFAOYSA-N
XLogP4.07
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide 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-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 16897453) is 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccccn1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MOEZJPBYSKVGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2S/c1-11-15(16(25)21-10-14-6-2-3-8-20-14)27-18(22-11)24-17(26)23-13-7-4-5-12(19)9-13/h2-9H,10H2,1H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 401.88 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).