5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride

C9H6ClNOS2 — CID 2795364

IUPAC5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride
SMILESCc1nc(-c2ccc(C(=O)Cl)s2)cs1
InChIInChI=1S/C9H6ClNOS2/c1-5-11-6(4-13-5)7-2-3-8(14-7)9(10)12/h2-4H,1H3
InChIKeyZZDMLMTYYXWSBJ-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.56
Rot. Bonds2

About 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride

5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride (PubChem CID 2795364) has the molecular formula C9H6ClNOS2 and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride
PubChem CID2795364
Molecular FormulaC9H6ClNOS2
Molecular Weight243.74 g/mol
Exact Mass242.96
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride
SMILESCc1nc(-c2ccc(C(=O)Cl)s2)cs1
InChIInChI=1S/C9H6ClNOS2/c1-5-11-6(4-13-5)7-2-3-8(14-7)9(10)12/h2-4H,1H3
InChIKeyZZDMLMTYYXWSBJ-UHFFFAOYSA-N
XLogP3.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride 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 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride (CID 2795364) is 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride is Cc1nc(-c2ccc(C(=O)Cl)s2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride?
The InChIKey is ZZDMLMTYYXWSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS2/c1-5-11-6(4-13-5)7-2-3-8(14-7)9(10)12/h2-4H,1H3.
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride?
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride has a molecular weight of 243.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride is sourced from PubChem (CID 2795364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).