3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide

C6H8N6O2S2 — CID 60809582

IUPAC3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nncs2)c(N)n1
InChIInChI=1S/C6H8N6O2S2/c1-12-2-4(5(7)10-12)16(13,14)11-6-9-8-3-15-6/h2-3H,1H3,(H2,7,10)(H,9,11)
InChIKeyRHSNHPNJWBCBJL-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.35
Rot. Bonds3

About 3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide

3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 60809582) has the molecular formula C6H8N6O2S2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID60809582
Molecular FormulaC6H8N6O2S2
Molecular Weight260.30 g/mol
Exact Mass260.02
IUPAC Name3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nncs2)c(N)n1
InChIInChI=1S/C6H8N6O2S2/c1-12-2-4(5(7)10-12)16(13,14)11-6-9-8-3-15-6/h2-3H,1H3,(H2,7,10)(H,9,11)
InChIKeyRHSNHPNJWBCBJL-UHFFFAOYSA-N
XLogP-0.35
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613
3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide
CID 114386882
2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809611
3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60810421
5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081058
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60813866

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide (CID 60809582) is 3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2nncs2)c(N)n1.
What is the InChIKey of 3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is RHSNHPNJWBCBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2S2/c1-12-2-4(5(7)10-12)16(13,14)11-6-9-8-3-15-6/h2-3H,1H3,(H2,7,10)(H,9,11).
What are the key properties of 3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 260.30 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60809582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).