N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide

C16H13ClN4OS — CID 86263735

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ncccn1
InChIInChI=1S/C16H13ClN4OS/c1-10-13(9-20-15(22)14-18-7-4-8-19-14)23-16(21-10)11-5-2-3-6-12(11)17/h2-8H,9H2,1H3,(H,20,22)
InChIKeyACSKJJUABZZKBP-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.49
Rot. Bonds4

About N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide (PubChem CID 86263735) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide
PubChem CID86263735
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ncccn1
InChIInChI=1S/C16H13ClN4OS/c1-10-13(9-20-15(22)14-18-7-4-8-19-14)23-16(21-10)11-5-2-3-6-12(11)17/h2-8H,9H2,1H3,(H,20,22)
InChIKeyACSKJJUABZZKBP-UHFFFAOYSA-N
XLogP3.49
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-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 N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide (CID 86263735) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ncccn1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide?
The InChIKey is ACSKJJUABZZKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c1-10-13(9-20-15(22)14-18-7-4-8-19-14)23-16(21-10)11-5-2-3-6-12(11)17/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide has a molecular weight of 344.83 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 86263735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).