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

C7H10N6O2S2 — CID 113383199

IUPAC5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2nnc(N)s2)cn1
InChIInChI=1S/C7H10N6O2S2/c1-13-4-5(2-9-13)3-10-17(14,15)7-12-11-6(8)16-7/h2,4,10H,3H2,1H3,(H2,8,11)
InChIKeyOCJYSPGJJJJNIK-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.67
Rot. Bonds4

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

5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 113383199) has the molecular formula C7H10N6O2S2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID113383199
Molecular FormulaC7H10N6O2S2
Molecular Weight274.33 g/mol
Exact Mass274.03
IUPAC Name5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2nnc(N)s2)cn1
InChIInChI=1S/C7H10N6O2S2/c1-13-4-5(2-9-13)3-10-17(14,15)7-12-11-6(8)16-7/h2,4,10H,3H2,1H3,(H2,8,11)
InChIKeyOCJYSPGJJJJNIK-UHFFFAOYSA-N
XLogP-0.67
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383282
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
2-amino-3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103171325
2-chloro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61351400
5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61351156
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
3-amino-4-[(1-methylpyrazol-4-yl)methylsulfamoyl]benzamide
CID 81466386
2-amino-4-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61350401
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
5-(aminomethyl)-2-chloro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018200
3-amino-2-bromo-5-chloro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 62956906

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide (CID 113383199) is 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide is Cn1cc(CNS(=O)(=O)c2nnc(N)s2)cn1.
What is the InChIKey of 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is OCJYSPGJJJJNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S2/c1-13-4-5(2-9-13)3-10-17(14,15)7-12-11-6(8)16-7/h2,4,10H,3H2,1H3,(H2,8,11).
What are the key properties of 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 274.33 g/mol, XLogP of -0.67, 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-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 113383199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).