5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

C9H12N6OS — CID 80617127

IUPAC5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1nnc(N)s1
InChIInChI=1S/C9H12N6OS/c1-6(5-15-4-2-3-11-15)12-7(16)8-13-14-9(10)17-8/h2-4,6H,5H2,1H3,(H2,10,14)(H,12,16)
InChIKeyRLSTVXJOXGERAV-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.14
Rot. Bonds4

About 5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617127) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617127
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1nnc(N)s1
InChIInChI=1S/C9H12N6OS/c1-6(5-15-4-2-3-11-15)12-7(16)8-13-14-9(10)17-8/h2-4,6H,5H2,1H3,(H2,10,14)(H,12,16)
InChIKeyRLSTVXJOXGERAV-UHFFFAOYSA-N
XLogP0.14
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116663571
3-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 76907215
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481
4-amino-1-ethyl-3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide
CID 66123889
1-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 65463788
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80617127) is 5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is CC(Cn1cccn1)NC(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RLSTVXJOXGERAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-6(5-15-4-2-3-11-15)12-7(16)8-13-14-9(10)17-8/h2-4,6H,5H2,1H3,(H2,10,14)(H,12,16).
What are the key properties of 5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).