3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide

C11H11ClN2OS2 — CID 56792381

IUPAC3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCN(C(=O)CCc1cc(Cl)cs1)c1nccs1
InChIInChI=1S/C11H11ClN2OS2/c1-14(11-13-4-5-16-11)10(15)3-2-9-6-8(12)7-17-9/h4-7H,2-3H2,1H3
InChIKeyYJJXRQZPFQBLSH-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.45
Rot. Bonds4

About 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide

3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 56792381) has the molecular formula C11H11ClN2OS2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID56792381
Molecular FormulaC11H11ClN2OS2
Molecular Weight286.81 g/mol
Exact Mass286.00
IUPAC Name3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCN(C(=O)CCc1cc(Cl)cs1)c1nccs1
InChIInChI=1S/C11H11ClN2OS2/c1-14(11-13-4-5-16-11)10(15)3-2-9-6-8(12)7-17-9/h4-7H,2-3H2,1H3
InChIKeyYJJXRQZPFQBLSH-UHFFFAOYSA-N
XLogP3.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide 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 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide (CID 56792381) is 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide is CN(C(=O)CCc1cc(Cl)cs1)c1nccs1.
What is the InChIKey of 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is YJJXRQZPFQBLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS2/c1-14(11-13-4-5-16-11)10(15)3-2-9-6-8(12)7-17-9/h4-7H,2-3H2,1H3.
What are the key properties of 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide?
3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 286.81 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 56792381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).