N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide

C7H8N6OS — CID 79531188

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESNc1[nH]ncc1CNC(=O)c1cnns1
InChIInChI=1S/C7H8N6OS/c8-6-4(2-10-12-6)1-9-7(14)5-3-11-13-15-5/h2-3H,1H2,(H,9,14)(H3,8,10,12)
InChIKeyCPJASQJEHNRMGN-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.23
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 79531188) has the molecular formula C7H8N6OS and a molecular weight of 224.25 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
PubChem CID79531188
Molecular FormulaC7H8N6OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESNc1[nH]ncc1CNC(=O)c1cnns1
InChIInChI=1S/C7H8N6OS/c8-6-4(2-10-12-6)1-9-7(14)5-3-11-13-15-5/h2-3H,1H2,(H,9,14)(H3,8,10,12)
InChIKeyCPJASQJEHNRMGN-UHFFFAOYSA-N
XLogP-0.23
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 61022281
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide
CID 80537776
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
CID 79531497
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 79531339
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-hydroxynaphthalene-2-carboxamide
CID 79530279
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide
CID 106688560
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-methylfuran-2-carboxamide
CID 79530310

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide (CID 79531188) is N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide is Nc1[nH]ncc1CNC(=O)c1cnns1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is CPJASQJEHNRMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS/c8-6-4(2-10-12-6)1-9-7(14)5-3-11-13-15-5/h2-3H,1H2,(H,9,14)(H3,8,10,12).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 224.25 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 79531188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).