2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide

C8H9ClN4O2S2 — CID 43547704

IUPAC2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H9ClN4O2S2/c1-4-7(5(2)12-11-4)13-17(14,15)6-3-10-8(9)16-6/h3,13H,1-2H3,(H,11,12)
InChIKeyIRYYJUXTJPGIRP-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.94
Rot. Bonds3

About 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 43547704) has the molecular formula C8H9ClN4O2S2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID43547704
Molecular FormulaC8H9ClN4O2S2
Molecular Weight292.77 g/mol
Exact Mass291.99
IUPAC Name2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H9ClN4O2S2/c1-4-7(5(2)12-11-4)13-17(14,15)6-3-10-8(9)16-6/h3,13H,1-2H3,(H,11,12)
InChIKeyIRYYJUXTJPGIRP-UHFFFAOYSA-N
XLogP1.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide (CID 43547704) is 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is IRYYJUXTJPGIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S2/c1-4-7(5(2)12-11-4)13-17(14,15)6-3-10-8(9)16-6/h3,13H,1-2H3,(H,11,12).
What are the key properties of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 292.77 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43547704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).