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

C9H11ClN4O2S2 — CID 60749388

IUPAC2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H11ClN4O2S2/c1-5-8(6(2)14(3)12-5)13-18(15,16)7-4-11-9(10)17-7/h4,13H,1-3H3
InChIKeyLRBJEZKBYCCUKF-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.95
Rot. Bonds3

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

2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 60749388) has the molecular formula C9H11ClN4O2S2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID60749388
Molecular FormulaC9H11ClN4O2S2
Molecular Weight306.80 g/mol
Exact Mass306.00
IUPAC Name2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H11ClN4O2S2/c1-5-8(6(2)14(3)12-5)13-18(15,16)7-4-11-9(10)17-7/h4,13H,1-3H3
InChIKeyLRBJEZKBYCCUKF-UHFFFAOYSA-N
XLogP1.95
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide (CID 60749388) is 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is LRBJEZKBYCCUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S2/c1-5-8(6(2)14(3)12-5)13-18(15,16)7-4-11-9(10)17-7/h4,13H,1-3H3.
What are the key properties of 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 306.80 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60749388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).