N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide

C8H11ClN2OS — CID 176865985

IUPACN-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCc1sc(NC(=O)C(C)C)nc1Cl
InChIInChI=1S/C8H11ClN2OS/c1-4(2)7(12)11-8-10-6(9)5(3)13-8/h4H,1-3H3,(H,10,11,12)
InChIKeyFPUZPETZRQRDDF-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.70
Rot. Bonds2

About N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide

N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide (PubChem CID 176865985) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide
PubChem CID176865985
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC NameN-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCc1sc(NC(=O)C(C)C)nc1Cl
InChIInChI=1S/C8H11ClN2OS/c1-4(2)7(12)11-8-10-6(9)5(3)13-8/h4H,1-3H3,(H,10,11,12)
InChIKeyFPUZPETZRQRDDF-UHFFFAOYSA-N
XLogP2.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide 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-methyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide (CID 176865985) is N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide is Cc1sc(NC(=O)C(C)C)nc1Cl.
What is the InChIKey of N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The InChIKey is FPUZPETZRQRDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-4(2)7(12)11-8-10-6(9)5(3)13-8/h4H,1-3H3,(H,10,11,12).
What are the key properties of N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide?
N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide has a molecular weight of 218.71 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 176865985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).