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

C10H10ClN3O2S2 — CID 55233131

IUPAC2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H10ClN3O2S2/c1-6-5-12-4-3-8(6)14-18(15,16)9-7(2)13-10(11)17-9/h3-5H,1-2H3,(H,12,14)
InChIKeyLEBODMLBJNXEIN-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.61
Rot. Bonds3

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

2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide (PubChem CID 55233131) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
PubChem CID55233131
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H10ClN3O2S2/c1-6-5-12-4-3-8(6)14-18(15,16)9-7(2)13-10(11)17-9/h3-5H,1-2H3,(H,12,14)
InChIKeyLEBODMLBJNXEIN-UHFFFAOYSA-N
XLogP2.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide (CID 55233131) is 2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide is Cc1cnccc1NS(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is LEBODMLBJNXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c1-6-5-12-4-3-8(6)14-18(15,16)9-7(2)13-10(11)17-9/h3-5H,1-2H3,(H,12,14).
What are the key properties of 2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 303.80 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55233131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).