2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide

C18H16ClN5O2S — CID 18567587

IUPAC2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccccn1
InChIInChI=1S/C18H16ClN5O2S/c19-12-4-6-13(7-5-12)22-17(26)24-18-23-15(11-27-18)9-16(25)21-10-14-3-1-2-8-20-14/h1-8,11H,9-10H2,(H,21,25)(H2,22,23,24,26)
InChIKeyJIRKXLCMBXAGSO-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 18567587) has the molecular formula C18H16ClN5O2S and a molecular weight of 401.88 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID18567587
Molecular FormulaC18H16ClN5O2S
Molecular Weight401.88 g/mol
Exact Mass401.07
IUPAC Name2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccccn1
InChIInChI=1S/C18H16ClN5O2S/c19-12-4-6-13(7-5-12)22-17(26)24-18-23-15(11-27-18)9-16(25)21-10-14-3-1-2-8-20-14/h1-8,11H,9-10H2,(H,21,25)(H2,22,23,24,26)
InChIKeyJIRKXLCMBXAGSO-UHFFFAOYSA-N
XLogP3.69
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide 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-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 18567587) is 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccccn1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is JIRKXLCMBXAGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2S/c19-12-4-6-13(7-5-12)22-17(26)24-18-23-15(11-27-18)9-16(25)21-10-14-3-1-2-8-20-14/h1-8,11H,9-10H2,(H,21,25)(H2,22,23,24,26).
What are the key properties of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 401.88 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 18567587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).