2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole

C12H14ClN3O2S2 — CID 61046643

IUPAC2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C12H14ClN3O2S2/c1-8-11(19-12(13)15-8)20(17,18)16-7-3-5-10(16)9-4-2-6-14-9/h2,4,6,10,14H,3,5,7H2,1H3
InChIKeyRIFUCHYOPVQBMV-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.96
Rot. Bonds3

About 2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole

2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole (PubChem CID 61046643) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
PubChem CID61046643
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC Name2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C12H14ClN3O2S2/c1-8-11(19-12(13)15-8)20(17,18)16-7-3-5-10(16)9-4-2-6-14-9/h2,4,6,10,14H,3,5,7H2,1H3
InChIKeyRIFUCHYOPVQBMV-UHFFFAOYSA-N
XLogP2.96
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
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2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
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1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
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CID 54979772
2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873150
4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116545
3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole (CID 61046643) is 2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole is Cc1nc(Cl)sc1S(=O)(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole?
The InChIKey is RIFUCHYOPVQBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-8-11(19-12(13)15-8)20(17,18)16-7-3-5-10(16)9-4-2-6-14-9/h2,4,6,10,14H,3,5,7H2,1H3.
What are the key properties of 2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole?
2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole has a molecular weight of 331.85 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole is sourced from PubChem (CID 61046643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).