N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide

C9H13ClN2OS — CID 167489361

IUPACN-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cl)c(CC(C)C)s1
InChIInChI=1S/C9H13ClN2OS/c1-5(2)4-7-8(10)12-9(14-7)11-6(3)13/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyYRKCRUWNRRDPOB-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.95
Rot. Bonds3

About N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide

N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 167489361) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
PubChem CID167489361
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC NameN-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cl)c(CC(C)C)s1
InChIInChI=1S/C9H13ClN2OS/c1-5(2)4-7-8(10)12-9(14-7)11-6(3)13/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyYRKCRUWNRRDPOB-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]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 N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide (CID 167489361) is N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(Cl)c(CC(C)C)s1.
What is the InChIKey of N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YRKCRUWNRRDPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-5(2)4-7-8(10)12-9(14-7)11-6(3)13/h5H,4H2,1-3H3,(H,11,12,13).
What are the key properties of N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 232.74 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 167489361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).