4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide

C7H8N6OS — CID 114911500

IUPAC4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnns2)c1N
InChIInChI=1S/C7H8N6OS/c1-3-5(8)6(12-11-3)7(14)10-4-2-9-13-15-4/h2H,8H2,1H3,(H,10,14)(H,11,12)
InChIKeyBASWFYBGUXYWSQ-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.40
Rot. Bonds2

About 4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide (PubChem CID 114911500) has the molecular formula C7H8N6OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide
PubChem CID114911500
Molecular FormulaC7H8N6OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnns2)c1N
InChIInChI=1S/C7H8N6OS/c1-3-5(8)6(12-11-3)7(14)10-4-2-9-13-15-4/h2H,8H2,1H3,(H,10,14)(H,11,12)
InChIKeyBASWFYBGUXYWSQ-UHFFFAOYSA-N
XLogP0.40
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide (CID 114911500) is 4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnns2)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is BASWFYBGUXYWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS/c1-3-5(8)6(12-11-3)7(14)10-4-2-9-13-15-4/h2H,8H2,1H3,(H,10,14)(H,11,12).
What are the key properties of 4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 224.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(thiadiazol-5-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 114911500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).