5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide

C8H12N6O2S2 — CID 113383282

IUPAC5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C8H12N6O2S2/c1-5-6(4-14(2)13-5)3-10-18(15,16)8-12-11-7(9)17-8/h4,10H,3H2,1-2H3,(H2,9,11)
InChIKeyCGIMSUITXVCWEH-UHFFFAOYSA-N
MW288.36 g/mol
LogP-0.36
Rot. Bonds4

About 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 113383282) has the molecular formula C8H12N6O2S2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID113383282
Molecular FormulaC8H12N6O2S2
Molecular Weight288.36 g/mol
Exact Mass288.05
IUPAC Name5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C8H12N6O2S2/c1-5-6(4-14(2)13-5)3-10-18(15,16)8-12-11-7(9)17-8/h4,10H,3H2,1-2H3,(H2,9,11)
InChIKeyCGIMSUITXVCWEH-UHFFFAOYSA-N
XLogP-0.36
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383199
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylbenzenesulfonamide
CID 115989044
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 19575260
5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 106076963
5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 106303562
2-amino-4,6-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115989060
3-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115989030
4-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22209366
5-amino-3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzenesulfonamide
CID 115989061
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 22209374
4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
CID 106076915
4-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115990135

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide (CID 113383282) is 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide is Cc1nn(C)cc1CNS(=O)(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is CGIMSUITXVCWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S2/c1-5-6(4-14(2)13-5)3-10-18(15,16)8-12-11-7(9)17-8/h4,10H,3H2,1-2H3,(H2,9,11).
What are the key properties of 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 288.36 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 113383282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).