4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

C16H17F3N4O2S — CID 86987782

IUPAC4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)13-21-22-14(26-13)20-15(25)23-8-6-11(7-9-23)12(24)10-4-2-1-3-5-10/h1-5,11-12,24H,6-9H2,(H,20,22,25)
InChIKeyDZQKNHPHEBXWNY-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.53
Rot. Bonds3

About 4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 86987782) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
PubChem CID86987782
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)13-21-22-14(26-13)20-15(25)23-8-6-11(7-9-23)12(24)10-4-2-1-3-5-10/h1-5,11-12,24H,6-9H2,(H,20,22,25)
InChIKeyDZQKNHPHEBXWNY-UHFFFAOYSA-N
XLogP3.53
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (CID 86987782) is 4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is DZQKNHPHEBXWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c17-16(18,19)13-21-22-14(26-13)20-15(25)23-8-6-11(7-9-23)12(24)10-4-2-1-3-5-10/h1-5,11-12,24H,6-9H2,(H,20,22,25).
What are the key properties of 4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86987782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).