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

C9H15ClN2O3S2 — CID 61045214

IUPAC2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C9H15ClN2O3S2/c1-3-4-12(5-6-13)17(14,15)8-7(2)11-9(10)16-8/h13H,3-6H2,1-2H3
InChIKeyAHTGFNQHWLYYSU-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.50
Rot. Bonds6

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

2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide (PubChem CID 61045214) has the molecular formula C9H15ClN2O3S2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
PubChem CID61045214
Molecular FormulaC9H15ClN2O3S2
Molecular Weight298.82 g/mol
Exact Mass298.02
IUPAC Name2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C9H15ClN2O3S2/c1-3-4-12(5-6-13)17(14,15)8-7(2)11-9(10)16-8/h13H,3-6H2,1-2H3
InChIKeyAHTGFNQHWLYYSU-UHFFFAOYSA-N
XLogP1.50
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide (CID 61045214) is 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide is CCCN(CCO)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
The InChIKey is AHTGFNQHWLYYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O3S2/c1-3-4-12(5-6-13)17(14,15)8-7(2)11-9(10)16-8/h13H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide has a molecular weight of 298.82 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61045214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).