2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide

C11H15ClN4O2S2 — CID 61042186

IUPAC2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H15ClN4O2S2/c1-6(2)16-8(4)10(7(3)14-16)15-20(17,18)9-5-13-11(12)19-9/h5-6,15H,1-4H3
InChIKeyFPSXOWJHFYDHMJ-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.99
Rot. Bonds4

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

2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 61042186) has the molecular formula C11H15ClN4O2S2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID61042186
Molecular FormulaC11H15ClN4O2S2
Molecular Weight334.85 g/mol
Exact Mass334.03
IUPAC Name2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H15ClN4O2S2/c1-6(2)16-8(4)10(7(3)14-16)15-20(17,18)9-5-13-11(12)19-9/h5-6,15H,1-4H3
InChIKeyFPSXOWJHFYDHMJ-UHFFFAOYSA-N
XLogP2.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide (CID 61042186) is 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide is Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is FPSXOWJHFYDHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S2/c1-6(2)16-8(4)10(7(3)14-16)15-20(17,18)9-5-13-11(12)19-9/h5-6,15H,1-4H3.
What are the key properties of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 334.85 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61042186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).