1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide

C13H9F3N6O2S — CID 23610490

IUPAC1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)Nc3nnc(C(F)(F)F)s3)nn2)cc1
InChIInChI=1S/C13H9F3N6O2S/c1-24-8-4-2-7(3-5-8)22-6-9(18-21-22)10(23)17-12-20-19-11(25-12)13(14,15)16/h2-6H,1H3,(H,17,20,23)
InChIKeyRMZOIXBBQVQDCI-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.40
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide

1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide (PubChem CID 23610490) has the molecular formula C13H9F3N6O2S and a molecular weight of 370.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
PubChem CID23610490
Molecular FormulaC13H9F3N6O2S
Molecular Weight370.32 g/mol
Exact Mass370.05
IUPAC Name1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)Nc3nnc(C(F)(F)F)s3)nn2)cc1
InChIInChI=1S/C13H9F3N6O2S/c1-24-8-4-2-7(3-5-8)22-6-9(18-21-22)10(23)17-12-20-19-11(25-12)13(14,15)16/h2-6H,1H3,(H,17,20,23)
InChIKeyRMZOIXBBQVQDCI-UHFFFAOYSA-N
XLogP2.40
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 38782559
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyltriazole-4-carboxamide
CID 43066318
1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 10513054
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
3,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 777614
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1484125
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 138025561
4-bromo-3,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38783115
5-methyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 92595661
1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide
CID 154778908
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide
CID 83097160

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide (CID 23610490) is 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide is COc1ccc(-n2cc(C(=O)Nc3nnc(C(F)(F)F)s3)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide?
The InChIKey is RMZOIXBBQVQDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6O2S/c1-24-8-4-2-7(3-5-8)22-6-9(18-21-22)10(23)17-12-20-19-11(25-12)13(14,15)16/h2-6H,1H3,(H,17,20,23).
What are the key properties of 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide?
1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide has a molecular weight of 370.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 23610490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).