(2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide

C18H22N6O3S — CID 43819295

IUPAC(2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(c1nnsc1NC(=O)N1CCCC[C@H]1c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H22N6O3S/c25-17(23-8-10-27-11-9-23)15-16(28-22-21-15)20-18(26)24-7-2-1-5-14(24)13-4-3-6-19-12-13/h3-4,6,12,14H,1-2,5,7-11H2,(H,20,26)/t14-/m0/s1
InChIKeyYCQZUCIPCQQOCF-AWEZNQCLSA-N
MW402.48 g/mol
LogP2.16
Rot. Bonds3

About (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide

(2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 43819295) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID43819295
Molecular FormulaC18H22N6O3S
Molecular Weight402.48 g/mol
Exact Mass402.15
IUPAC Name(2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(c1nnsc1NC(=O)N1CCCC[C@H]1c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H22N6O3S/c25-17(23-8-10-27-11-9-23)15-16(28-22-21-15)20-18(26)24-7-2-1-5-14(24)13-4-3-6-19-12-13/h3-4,6,12,14H,1-2,5,7-11H2,(H,20,26)/t14-/m0/s1
InChIKeyYCQZUCIPCQQOCF-AWEZNQCLSA-N
XLogP2.16
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 98201542
(2S)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 43819296
N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 53399867
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055
N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 53399865
(2R)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 126423361
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide
CID 17037005
N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 167774268
N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 118785958
(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 97275123

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide (CID 43819295) is (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide is O=C(c1nnsc1NC(=O)N1CCCC[C@H]1c1cccnc1)N1CCOCC1.
What is the InChIKey of (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is YCQZUCIPCQQOCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N6O3S/c25-17(23-8-10-27-11-9-23)15-16(28-22-21-15)20-18(26)24-7-2-1-5-14(24)13-4-3-6-19-12-13/h3-4,6,12,14H,1-2,5,7-11H2,(H,20,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide?
(2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 43819295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).