(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide

C20H21N5OS — CID 97435089

IUPAC(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)N3CCCC[C@H]3c3ccccn3)c2)s1
InChIInChI=1S/C20H21N5OS/c1-14-23-24-19(27-14)15-7-6-8-16(13-15)22-20(26)25-12-5-3-10-18(25)17-9-2-4-11-21-17/h2,4,6-9,11,13,18H,3,5,10,12H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyNJURGWLFDBRQIJ-SFHVURJKSA-N
MW379.49 g/mol
LogP4.67
Rot. Bonds3

About (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide

(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide (PubChem CID 97435089) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
PubChem CID97435089
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)N3CCCC[C@H]3c3ccccn3)c2)s1
InChIInChI=1S/C20H21N5OS/c1-14-23-24-19(27-14)15-7-6-8-16(13-15)22-20(26)25-12-5-3-10-18(25)17-9-2-4-11-21-17/h2,4,6-9,11,13,18H,3,5,10,12H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyNJURGWLFDBRQIJ-SFHVURJKSA-N
XLogP4.67
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45208616
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
(2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 25280887
N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 118779586
2-pyridin-4-yl-N-[3-(1,3-thiazol-2-yl)phenyl]azepane-1-carboxamide
CID 87035823
(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 25451049
1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45252531
1-[2-(cyclohexen-1-yl)acetyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45201574
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide
CID 42458008
(2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 97278092
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 22586897

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide (CID 97435089) is (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide is Cc1nnc(-c2cccc(NC(=O)N3CCCC[C@H]3c3ccccn3)c2)s1.
What is the InChIKey of (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
The InChIKey is NJURGWLFDBRQIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-14-23-24-19(27-14)15-7-6-8-16(13-15)22-20(26)25-12-5-3-10-18(25)17-9-2-4-11-21-17/h2,4,6-9,11,13,18H,3,5,10,12H2,1H3,(H,22,26)/t18-/m0/s1.
What are the key properties of (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 97435089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).