4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C19H19N5OS — CID 51119005

IUPAC4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H19N5OS/c25-19(21-18-23-22-17(26-18)16-8-4-5-11-20-16)24-12-9-15(10-13-24)14-6-2-1-3-7-14/h1-8,11,15H,9-10,12-13H2,(H,21,23,25)
InChIKeySHQSFLOLQXFCSD-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.01
Rot. Bonds3

About 4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 51119005) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID51119005
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H19N5OS/c25-19(21-18-23-22-17(26-18)16-8-4-5-11-20-16)24-12-9-15(10-13-24)14-6-2-1-3-7-14/h1-8,11,15H,9-10,12-13H2,(H,21,23,25)
InChIKeySHQSFLOLQXFCSD-UHFFFAOYSA-N
XLogP4.01
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 75467005
tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate
CID 47716505
(4S)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-phenylazepane-1-carboxamide
CID 94169260
1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808851
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone
CID 133442278
N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 5013877
2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 122134184
(2R)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;dihydrochloride
CID 119855707
1-[8-fluoro-5-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 133475852
2-(3-bromophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 49161707
1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 162650003

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 51119005) is 4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is O=C(Nc1nnc(-c2ccccn2)s1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is SHQSFLOLQXFCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-19(21-18-23-22-17(26-18)16-8-4-5-11-20-16)24-12-9-15(10-13-24)14-6-2-1-3-7-14/h1-8,11,15H,9-10,12-13H2,(H,21,23,25).
What are the key properties of 4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 51119005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).