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

C11H16N4O2S2 — CID 42282525

IUPAC3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cn(C(C)C)nc2C)n1
InChIInChI=1S/C11H16N4O2S2/c1-7(2)15-5-10(9(4)13-15)19(16,17)14-11-12-8(3)6-18-11/h5-7H,1-4H3,(H,12,14)
InChIKeySWCGBDLRCWVFOP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.34
Rot. Bonds4

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

3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42282525) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42282525
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cn(C(C)C)nc2C)n1
InChIInChI=1S/C11H16N4O2S2/c1-7(2)15-5-10(9(4)13-15)19(16,17)14-11-12-8(3)6-18-11/h5-7H,1-4H3,(H,12,14)
InChIKeySWCGBDLRCWVFOP-UHFFFAOYSA-N
XLogP2.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 42282525) is 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide is Cc1csc(NS(=O)(=O)c2cn(C(C)C)nc2C)n1.
What is the InChIKey of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is SWCGBDLRCWVFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-7(2)15-5-10(9(4)13-15)19(16,17)14-11-12-8(3)6-18-11/h5-7H,1-4H3,(H,12,14).
What are the key properties of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).