2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride

C6H6ClNO2S2 — CID 122163904

IUPAC2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(C2CC2)s1
InChIInChI=1S/C6H6ClNO2S2/c7-12(9,10)5-3-8-6(11-5)4-1-2-4/h3-4H,1-2H2
InChIKeyWBZWPZZUWVCREP-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.95
Rot. Bonds2

About 2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride

2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 122163904) has the molecular formula C6H6ClNO2S2 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID122163904
Molecular FormulaC6H6ClNO2S2
Molecular Weight223.71 g/mol
Exact Mass222.95
IUPAC Name2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(C2CC2)s1
InChIInChI=1S/C6H6ClNO2S2/c7-12(9,10)5-3-8-6(11-5)4-1-2-4/h3-4H,1-2H2
InChIKeyWBZWPZZUWVCREP-UHFFFAOYSA-N
XLogP1.95
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-methyl-N-thiophen-3-yl-1,3-thiazole-5-sulfonamide
CID 154769116
2-cyclopropyl-5-iodo-1,3-thiazole
CID 126976994
2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride
CID 18542430
3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
CID 167945305
2-cyclopropyl-1,3-thiazole-5-sulfinic acid
CID 165456056
cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid
CID 166287988
3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride
CID 142611434
1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine
CID 118654672
4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-one
CID 169089981
2-(2-cyclopropyl-1,3-thiazol-5-yl)cyclobutan-1-amine
CID 164657778
N-methyl-2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-amine
CID 167262274
2-piperidin-4-yl-1,3-thiazol-5-amine
CID 172992650

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride (CID 122163904) is 2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride is O=S(=O)(Cl)c1cnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is WBZWPZZUWVCREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S2/c7-12(9,10)5-3-8-6(11-5)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride?
2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 223.71 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 122163904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).