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

C12H20ClN3O3S2 — CID 61045926

IUPAC2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C12H20ClN3O3S2/c1-9-11(20-12(13)14-9)21(18,19)16(7-8-17)10-3-5-15(2)6-4-10/h10,17H,3-8H2,1-2H3
InChIKeyJDFPLYOGSSFCDC-UHFFFAOYSA-N
MW353.90 g/mol
LogP1.18
Rot. Bonds5

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

2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 61045926) has the molecular formula C12H20ClN3O3S2 and a molecular weight of 353.90 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID61045926
Molecular FormulaC12H20ClN3O3S2
Molecular Weight353.90 g/mol
Exact Mass353.06
IUPAC Name2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C12H20ClN3O3S2/c1-9-11(20-12(13)14-9)21(18,19)16(7-8-17)10-3-5-15(2)6-4-10/h10,17H,3-8H2,1-2H3
InChIKeyJDFPLYOGSSFCDC-UHFFFAOYSA-N
XLogP1.18
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide (CID 61045926) is 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(CCO)C1CCN(C)CC1.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is JDFPLYOGSSFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3S2/c1-9-11(20-12(13)14-9)21(18,19)16(7-8-17)10-3-5-15(2)6-4-10/h10,17H,3-8H2,1-2H3.
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 353.90 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61045926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).