2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole

C9H13ClN2O2S2 — CID 60974266

IUPAC2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCC1C
InChIInChI=1S/C9H13ClN2O2S2/c1-6-4-3-5-12(6)16(13,14)8-7(2)11-9(10)15-8/h6H,3-5H2,1-2H3
InChIKeyBFUZILKRLLRKBQ-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.28
Rot. Bonds2

About 2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole

2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 60974266) has the molecular formula C9H13ClN2O2S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole
PubChem CID60974266
Molecular FormulaC9H13ClN2O2S2
Molecular Weight280.80 g/mol
Exact Mass280.01
IUPAC Name2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCC1C
InChIInChI=1S/C9H13ClN2O2S2/c1-6-4-3-5-12(6)16(13,14)8-7(2)11-9(10)15-8/h6H,3-5H2,1-2H3
InChIKeyBFUZILKRLLRKBQ-UHFFFAOYSA-N
XLogP2.28
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole (CID 60974266) is 2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole is Cc1nc(Cl)sc1S(=O)(=O)N1CCCC1C.
What is the InChIKey of 2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is BFUZILKRLLRKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2/c1-6-4-3-5-12(6)16(13,14)8-7(2)11-9(10)15-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 280.80 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 60974266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).