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

C8H6ClNO2S3 — CID 2736979

IUPAC5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride
SMILESCc1nc(-c2ccc(S(=O)(=O)Cl)s2)cs1
InChIInChI=1S/C8H6ClNO2S3/c1-5-10-6(4-13-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3
InChIKeyYIKNRCVJBOLZFL-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.11
Rot. Bonds2

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

5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride (PubChem CID 2736979) has the molecular formula C8H6ClNO2S3 and a molecular weight of 279.80 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride
PubChem CID2736979
Molecular FormulaC8H6ClNO2S3
Molecular Weight279.80 g/mol
Exact Mass278.92
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride
SMILESCc1nc(-c2ccc(S(=O)(=O)Cl)s2)cs1
InChIInChI=1S/C8H6ClNO2S3/c1-5-10-6(4-13-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3
InChIKeyYIKNRCVJBOLZFL-UHFFFAOYSA-N
XLogP3.11
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl 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-sulfonyl chloride?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride (CID 2736979) is 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride is Cc1nc(-c2ccc(S(=O)(=O)Cl)s2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride?
The InChIKey is YIKNRCVJBOLZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2S3/c1-5-10-6(4-13-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3.
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride?
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride has a molecular weight of 279.80 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 2736979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).