2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide

C11H17ClN2O3S2 — CID 61045375

IUPAC2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CCO)C1CCCC1
InChIInChI=1S/C11H17ClN2O3S2/c1-8-10(18-11(12)13-8)19(16,17)14(6-7-15)9-4-2-3-5-9/h9,15H,2-7H2,1H3
InChIKeyAYDGGFARIWJGBN-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.03
Rot. Bonds5

About 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61045375) has the molecular formula C11H17ClN2O3S2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61045375
Molecular FormulaC11H17ClN2O3S2
Molecular Weight324.86 g/mol
Exact Mass324.04
IUPAC Name2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CCO)C1CCCC1
InChIInChI=1S/C11H17ClN2O3S2/c1-8-10(18-11(12)13-8)19(16,17)14(6-7-15)9-4-2-3-5-9/h9,15H,2-7H2,1H3
InChIKeyAYDGGFARIWJGBN-UHFFFAOYSA-N
XLogP2.03
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 61045375) is 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(CCO)C1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is AYDGGFARIWJGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S2/c1-8-10(18-11(12)13-8)19(16,17)14(6-7-15)9-4-2-3-5-9/h9,15H,2-7H2,1H3.
What are the key properties of 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 324.86 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61045375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).