4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide

C10H13N5OS — CID 65210270

IUPAC4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H13N5OS/c1-2-3-8-9(17-15-14-8)10(16)11-4-7-5-12-13-6-7/h5-6H,2-4H2,1H3,(H,11,16)(H,12,13)
InChIKeyYIPYSRVSKDLMFL-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.14
Rot. Bonds5

About 4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide

4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 65210270) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide
PubChem CID65210270
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H13N5OS/c1-2-3-8-9(17-15-14-8)10(16)11-4-7-5-12-13-6-7/h5-6H,2-4H2,1H3,(H,11,16)(H,12,13)
InChIKeyYIPYSRVSKDLMFL-UHFFFAOYSA-N
XLogP1.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-4-propylthiadiazole-5-carboxamide
CID 107233259
2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381029
N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide
CID 65215949
4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 47369409
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735788
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 91794562
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 104641010
N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 103110263
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide
CID 114297929

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide (CID 65210270) is 4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is YIPYSRVSKDLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-2-3-8-9(17-15-14-8)10(16)11-4-7-5-12-13-6-7/h5-6H,2-4H2,1H3,(H,11,16)(H,12,13).
What are the key properties of 4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide?
4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65210270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).