4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride

C8H6ClNO2S3 — CID 82093836

IUPAC4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(-c2cccs2)sc1S(=O)(=O)Cl
InChIInChI=1S/C8H6ClNO2S3/c1-5-8(15(9,11)12)14-7(10-5)6-3-2-4-13-6/h2-4H,1H3
InChIKeyMXRVKWLWWOFERK-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.11
Rot. Bonds2

About 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride

4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 82093836) has the molecular formula C8H6ClNO2S3 and a molecular weight of 279.80 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride
PubChem CID82093836
Molecular FormulaC8H6ClNO2S3
Molecular Weight279.80 g/mol
Exact Mass278.92
IUPAC Name4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(-c2cccs2)sc1S(=O)(=O)Cl
InChIInChI=1S/C8H6ClNO2S3/c1-5-8(15(9,11)12)14-7(10-5)6-3-2-4-13-6/h2-4H,1H3
InChIKeyMXRVKWLWWOFERK-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

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Related Compounds

5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
5-methoxy-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 116887500
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82427273
2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid
CID 116887132
4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55602184
2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121789
1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 121121873
1-(3-methylphenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 121121878
3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 71795454
3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
CID 116884789
4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine
CID 116884857
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride (CID 82093836) is 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride is Cc1nc(-c2cccs2)sc1S(=O)(=O)Cl.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is MXRVKWLWWOFERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2S3/c1-5-8(15(9,11)12)14-7(10-5)6-3-2-4-13-6/h2-4H,1H3.
What are the key properties of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride?
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-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 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 82093836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).