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

C12H20ClN3O2S2 — CID 63236535

IUPAC2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C12H20ClN3O2S2/c1-9-11(19-12(13)14-9)20(17,18)16(3)8-10-4-6-15(2)7-5-10/h10H,4-8H2,1-3H3
InChIKeyZQAXNWADDJZDBO-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.07
Rot. Bonds4

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

2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 63236535) has the molecular formula C12H20ClN3O2S2 and a molecular weight of 337.90 g/mol. Its IUPAC name is 2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID63236535
Molecular FormulaC12H20ClN3O2S2
Molecular Weight337.90 g/mol
Exact Mass337.07
IUPAC Name2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C12H20ClN3O2S2/c1-9-11(19-12(13)14-9)20(17,18)16(3)8-10-4-6-15(2)7-5-10/h10H,4-8H2,1-3H3
InChIKeyZQAXNWADDJZDBO-UHFFFAOYSA-N
XLogP2.07
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-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,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 63236535) is 2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is ZQAXNWADDJZDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S2/c1-9-11(19-12(13)14-9)20(17,18)16(3)8-10-4-6-15(2)7-5-10/h10H,4-8H2,1-3H3.
What are the key properties of 2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 337.90 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63236535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).