4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide

C14H14N6OS — CID 124876032

IUPAC4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H](Cn1nccn1)c1ccccc1
InChIInChI=1S/C14H14N6OS/c1-10-13(22-19-18-10)14(21)17-12(9-20-15-7-8-16-20)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyLEHWQIKICFTLHE-LBPRGKRZSA-N
MW314.37 g/mol
LogP1.61
Rot. Bonds5

About 4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide

4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 124876032) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID124876032
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H](Cn1nccn1)c1ccccc1
InChIInChI=1S/C14H14N6OS/c1-10-13(22-19-18-10)14(21)17-12(9-20-15-7-8-16-20)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyLEHWQIKICFTLHE-LBPRGKRZSA-N
XLogP1.61
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121176253
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide
CID 9089953
N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiadiazole-5-carboxamide
CID 77059315
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204140
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
CID 124759844
4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
CID 39966907
N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 121176353
1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide
CID 124760245

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide (CID 124876032) is 4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N[C@@H](Cn1nccn1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is LEHWQIKICFTLHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-10-13(22-19-18-10)14(21)17-12(9-20-15-7-8-16-20)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide?
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 124876032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).