(3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide

C13H19F3N4O2S — CID 124756513

IUPAC(3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nnc(C(F)(F)F)s1)[C@H]1CCCN(CCO)C1
InChIInChI=1S/C13H19F3N4O2S/c14-13(15,16)12-19-18-10(23-12)3-4-17-11(22)9-2-1-5-20(8-9)6-7-21/h9,21H,1-8H2,(H,17,22)/t9-/m0/s1
InChIKeySUDVRZIOOFQYAI-VIFPVBQESA-N
MW352.38 g/mol
LogP0.92
Rot. Bonds6

About (3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide

(3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide (PubChem CID 124756513) has the molecular formula C13H19F3N4O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is (3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide
PubChem CID124756513
Molecular FormulaC13H19F3N4O2S
Molecular Weight352.38 g/mol
Exact Mass352.12
IUPAC Name(3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nnc(C(F)(F)F)s1)[C@H]1CCCN(CCO)C1
InChIInChI=1S/C13H19F3N4O2S/c14-13(15,16)12-19-18-10(23-12)3-4-17-11(22)9-2-1-5-20(8-9)6-7-21/h9,21H,1-8H2,(H,17,22)/t9-/m0/s1
InChIKeySUDVRZIOOFQYAI-VIFPVBQESA-N
XLogP0.92
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
1-(2-hydroxyethyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 118772758
1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 72885646
(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 97273284
(3R)-1-acetyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97188621
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 82058188
(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 97146004
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63252709
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916688
(3R)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071734
(3S)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071735

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide (CID 124756513) is (3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide is O=C(NCCc1nnc(C(F)(F)F)s1)[C@H]1CCCN(CCO)C1.
What is the InChIKey of (3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide?
The InChIKey is SUDVRZIOOFQYAI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19F3N4O2S/c14-13(15,16)12-19-18-10(23-12)3-4-17-11(22)9-2-1-5-20(8-9)6-7-21/h9,21H,1-8H2,(H,17,22)/t9-/m0/s1.
What are the key properties of (3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide?
(3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 124756513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).