3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide

C10H14N4O2S2 — CID 42282523

IUPAC3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C10H14N4O2S2/c1-7(2)14-6-9(8(3)12-14)18(15,16)13-10-11-4-5-17-10/h4-7H,1-3H3,(H,11,13)
InChIKeyBPIBRYAOYNEEQA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.03
Rot. Bonds4

About 3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide

3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 42282523) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID42282523
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C10H14N4O2S2/c1-7(2)14-6-9(8(3)12-14)18(15,16)13-10-11-4-5-17-10/h4-7H,1-3H3,(H,11,13)
InChIKeyBPIBRYAOYNEEQA-UHFFFAOYSA-N
XLogP2.03
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide (CID 42282523) is 3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is BPIBRYAOYNEEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-7(2)14-6-9(8(3)12-14)18(15,16)13-10-11-4-5-17-10/h4-7H,1-3H3,(H,11,13).
What are the key properties of 3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42282523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).