N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H15F3N4OS — CID 71893055

IUPACN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H15F3N4OS/c16-15(17,18)10-6-2-1-5-9(10)12(23)20-14-22-21-13(24-14)11-7-3-4-8-19-11/h3-4,7-10H,1-2,5-6H2,(H,20,22,23)
InChIKeyUTPROPUNFJURAL-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.91
Rot. Bonds3

About N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 71893055) has the molecular formula C15H15F3N4OS and a molecular weight of 356.37 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID71893055
Molecular FormulaC15H15F3N4OS
Molecular Weight356.37 g/mol
Exact Mass356.09
IUPAC NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H15F3N4OS/c16-15(17,18)10-6-2-1-5-9(10)12(23)20-14-22-21-13(24-14)11-7-3-4-8-19-11/h3-4,7-10H,1-2,5-6H2,(H,20,22,23)
InChIKeyUTPROPUNFJURAL-UHFFFAOYSA-N
XLogP3.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 71893055) is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1nnc(-c2ccccn2)s1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UTPROPUNFJURAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4OS/c16-15(17,18)10-6-2-1-5-9(10)12(23)20-14-22-21-13(24-14)11-7-3-4-8-19-11/h3-4,7-10H,1-2,5-6H2,(H,20,22,23).
What are the key properties of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71893055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).