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

C10H16ClN3O2S2 — CID 43455796

IUPAC2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H16ClN3O2S2/c1-13-5-3-8(4-6-13)14(2)18(15,16)9-7-12-10(11)17-9/h7-8H,3-6H2,1-2H3
InChIKeyYLTDHNNKOWTMOK-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.51
Rot. Bonds3

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

2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 43455796) has the molecular formula C10H16ClN3O2S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID43455796
Molecular FormulaC10H16ClN3O2S2
Molecular Weight309.84 g/mol
Exact Mass309.04
IUPAC Name2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H16ClN3O2S2/c1-13-5-3-8(4-6-13)14(2)18(15,16)9-7-12-10(11)17-9/h7-8H,3-6H2,1-2H3
InChIKeyYLTDHNNKOWTMOK-UHFFFAOYSA-N
XLogP1.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-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-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide (CID 43455796) is 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide is CN1CCC(N(C)S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is YLTDHNNKOWTMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S2/c1-13-5-3-8(4-6-13)14(2)18(15,16)9-7-12-10(11)17-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 309.84 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).