3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C10H14N4O2S2 — CID 54913797

IUPAC3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1csc(CNS(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C10H14N4O2S2/c1-6-5-17-9(12-6)4-11-18(15,16)10-7(2)13-14-8(10)3/h5,11H,4H2,1-3H3,(H,13,14)
InChIKeyCONDDJWMHUSKOY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.27
Rot. Bonds4

About 3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54913797) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID54913797
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1csc(CNS(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C10H14N4O2S2/c1-6-5-17-9(12-6)4-11-18(15,16)10-7(2)13-14-8(10)3/h5,11H,4H2,1-3H3,(H,13,14)
InChIKeyCONDDJWMHUSKOY-UHFFFAOYSA-N
XLogP1.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 54913797) is 3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1csc(CNS(=O)(=O)c2c(C)n[nH]c2C)n1.
What is the InChIKey of 3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is CONDDJWMHUSKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-6-5-17-9(12-6)4-11-18(15,16)10-7(2)13-14-8(10)3/h5,11H,4H2,1-3H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54913797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).