N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

C16H12N6O2S — CID 46506758

IUPACN-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
SMILESCc1c(-c2nsc(NC(=O)c3ccco3)n2)nnn1-c1ccccc1
InChIInChI=1S/C16H12N6O2S/c1-10-13(19-21-22(10)11-6-3-2-4-7-11)14-17-16(25-20-14)18-15(23)12-8-5-9-24-12/h2-9H,1H3,(H,17,18,20,23)
InChIKeyNUHKJXNOADCVRQ-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.94
Rot. Bonds4

About N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide (PubChem CID 46506758) has the molecular formula C16H12N6O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
PubChem CID46506758
Molecular FormulaC16H12N6O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC NameN-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
SMILESCc1c(-c2nsc(NC(=O)c3ccco3)n2)nnn1-c1ccccc1
InChIInChI=1S/C16H12N6O2S/c1-10-13(19-21-22(10)11-6-3-2-4-7-11)14-17-16(25-20-14)18-15(23)12-8-5-9-24-12/h2-9H,1H3,(H,17,18,20,23)
InChIKeyNUHKJXNOADCVRQ-UHFFFAOYSA-N
XLogP2.94
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[1-(3-chloro-4-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
CID 22424662
2-methyl-N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]benzamide
CID 20941428
3-chloro-N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]benzamide
CID 20941197
N-[3-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 20941225
N-[3-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 20941229
3-fluoro-N-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 20941406
N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 20941145
4-bromo-N-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 20941260
N-[3-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-3,4-dimethylbenzamide
CID 20941376
2-chloro-N-[3-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 22424457
N-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-3,5-dimethoxybenzamide
CID 20941292
3,4-dimethyl-N-[3-[5-methyl-1-(3-methylsulfanylphenyl)triazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 20941398

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide (CID 46506758) is N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide is Cc1c(-c2nsc(NC(=O)c3ccco3)n2)nnn1-c1ccccc1.
What is the InChIKey of N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
The InChIKey is NUHKJXNOADCVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S/c1-10-13(19-21-22(10)11-6-3-2-4-7-11)14-17-16(25-20-14)18-15(23)12-8-5-9-24-12/h2-9H,1H3,(H,17,18,20,23).
What are the key properties of N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 46506758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).