N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

C17H13F3N4OS — CID 168866607

IUPACN-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccccc1Cc1nnc(NC(=O)c2cccnc2C(F)(F)F)s1
InChIInChI=1S/C17H13F3N4OS/c1-10-5-2-3-6-11(10)9-13-23-24-16(26-13)22-15(25)12-7-4-8-21-14(12)17(18,19)20/h2-8H,9H2,1H3,(H,22,24,25)
InChIKeyGEPCQBMYFSLJBM-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.10
Rot. Bonds4

About N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 168866607) has the molecular formula C17H13F3N4OS and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID168866607
Molecular FormulaC17H13F3N4OS
Molecular Weight378.38 g/mol
Exact Mass378.08
IUPAC NameN-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccccc1Cc1nnc(NC(=O)c2cccnc2C(F)(F)F)s1
InChIInChI=1S/C17H13F3N4OS/c1-10-5-2-3-6-11(10)9-13-23-24-16(26-13)22-15(25)12-7-4-8-21-14(12)17(18,19)20/h2-8H,9H2,1H3,(H,22,24,25)
InChIKeyGEPCQBMYFSLJBM-UHFFFAOYSA-N
XLogP4.10
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide
CID 168866614
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 769140
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319851
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
2-(hydroxymethyl)-N-[5-[2-[2-[5-[[2-(hydroxymethyl)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 74982501
N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 154754255
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119777307
4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 86938318
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
CID 24648214
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199493

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 168866607) is N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccccc1Cc1nnc(NC(=O)c2cccnc2C(F)(F)F)s1.
What is the InChIKey of N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GEPCQBMYFSLJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4OS/c1-10-5-2-3-6-11(10)9-13-23-24-16(26-13)22-15(25)12-7-4-8-21-14(12)17(18,19)20/h2-8H,9H2,1H3,(H,22,24,25).
What are the key properties of N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 168866607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).