N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide

C14H14N6OS — CID 2799314

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nn(-c3ccccc3)nc2C)s1
InChIInChI=1S/C14H14N6OS/c1-3-11-16-17-14(22-11)15-13(21)12-9(2)18-20(19-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,17,21)
InChIKeyWAECUYWLFANIRE-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.24
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 2799314) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID2799314
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nn(-c3ccccc3)nc2C)s1
InChIInChI=1S/C14H14N6OS/c1-3-11-16-17-14(22-11)15-13(21)12-9(2)18-20(19-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,17,21)
InChIKeyWAECUYWLFANIRE-UHFFFAOYSA-N
XLogP2.24
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 27297734
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 17461236
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419754
5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933883
N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 46687305
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 29410627
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138612

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide (CID 2799314) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide is CCc1nnc(NC(=O)c2nn(-c3ccccc3)nc2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is WAECUYWLFANIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-3-11-16-17-14(22-11)15-13(21)12-9(2)18-20(19-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,17,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 2799314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).