4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide

C9H12N6OS — CID 110226454

IUPAC4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)Cn1cncn1
InChIInChI=1S/C9H12N6OS/c1-6(3-15-5-10-4-11-15)12-9(16)8-7(2)13-14-17-8/h4-6H,3H2,1-2H3,(H,12,16)
InChIKeyILCQPAAFKADJNH-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.26
Rot. Bonds4

About 4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide

4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide (PubChem CID 110226454) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
PubChem CID110226454
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)Cn1cncn1
InChIInChI=1S/C9H12N6OS/c1-6(3-15-5-10-4-11-15)12-9(16)8-7(2)13-14-17-8/h4-6H,3H2,1-2H3,(H,12,16)
InChIKeyILCQPAAFKADJNH-UHFFFAOYSA-N
XLogP0.26
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 131937080
1-(2-phenylethyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]triazole-4-carboxamide
CID 25281033
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996
4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide
CID 125158178
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
3-methyl-2-nitro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 86992604
5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 91782567
2-chloro-4,5-difluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91781642
5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 92582403
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 79253100
4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 97050989
1-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 29023480

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide (CID 110226454) is 4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(C)Cn1cncn1.
What is the InChIKey of 4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide?
The InChIKey is ILCQPAAFKADJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-6(3-15-5-10-4-11-15)12-9(16)8-7(2)13-14-17-8/h4-6H,3H2,1-2H3,(H,12,16).
What are the key properties of 4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide?
4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 110226454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).