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

C10H10ClN3O2S2 — CID 79240768

IUPAC2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2sc(Cl)nc2C)ccn1
InChIInChI=1S/C10H10ClN3O2S2/c1-6-5-8(3-4-12-6)14-18(15,16)9-7(2)13-10(11)17-9/h3-5H,1-2H3,(H,12,14)
InChIKeyYLMKCAUEAHKYDT-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.61
Rot. Bonds3

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

2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide (PubChem CID 79240768) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
PubChem CID79240768
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2sc(Cl)nc2C)ccn1
InChIInChI=1S/C10H10ClN3O2S2/c1-6-5-8(3-4-12-6)14-18(15,16)9-7(2)13-10(11)17-9/h3-5H,1-2H3,(H,12,14)
InChIKeyYLMKCAUEAHKYDT-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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Related Compounds

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
N2-(3-pyridylmethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795737
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 3239290
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 5310288
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}thiophene-2-sulfonamide
CID 5310371
5-ethyl-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)thiophene-2-sulfonamide
CID 9551571
N2-(2-pyridylmethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795736
[2-(2-Methyl-1,3-thiazol-4-yl)ethylamino](oxo)-3-pyridyl-lambda-sulfaniumolate
CID 7152310
4-Methyl-2-((5-(pyrrolidin-1-ylsulfonyl)pyridin-2-yl)thio)thiazole
CID 2527478
N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 6602955
4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7202341
5-ethyl-N-pyridin-4-ylthiophene-2-sulfonamide
CID 72019952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide (CID 79240768) is 2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2sc(Cl)nc2C)ccn1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is YLMKCAUEAHKYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c1-6-5-8(3-4-12-6)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-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(2-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-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 79240768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).