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

C8H9N5OS — CID 61022281

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1cnns1
InChIInChI=1S/C8H9N5OS/c1-5-6(3-10-12-5)2-9-8(14)7-4-11-13-15-7/h3-4H,2H2,1H3,(H,9,14)(H,10,12)
InChIKeyAOGUSUAFJQWWFI-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.50
Rot. Bonds3

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 61022281) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
PubChem CID61022281
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1cnns1
InChIInChI=1S/C8H9N5OS/c1-5-6(3-10-12-5)2-9-8(14)7-4-11-13-15-7/h3-4H,2H2,1H3,(H,9,14)(H,10,12)
InChIKeyAOGUSUAFJQWWFI-UHFFFAOYSA-N
XLogP0.50
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 79531188
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61022740
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 60768162
3,5-difluoro-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63185983
3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 61139058
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 61021531
N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 60767686
3-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 61004398

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide (CID 61022281) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide is Cc1[nH]ncc1CNC(=O)c1cnns1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is AOGUSUAFJQWWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5-6(3-10-12-5)2-9-8(14)7-4-11-13-15-7/h3-4H,2H2,1H3,(H,9,14)(H,10,12).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 61022281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).