(3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C14H15N7OS — CID 40920723

IUPAC(3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C14H15N7OS/c22-13(20-14-15-3-5-23-14)9-2-1-4-21(6-9)12-10-11(17-7-16-10)18-8-19-12/h3,5,7-9H,1-2,4,6H2,(H,15,20,22)(H,16,17,18,19)/t9-/m0/s1
InChIKeyXQLLAFRLPQWEKX-VIFPVBQESA-N
MW329.39 g/mol
LogP1.66
Rot. Bonds3

About (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

(3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 40920723) has the molecular formula C14H15N7OS and a molecular weight of 329.39 g/mol. Its IUPAC name is (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID40920723
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name(3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C14H15N7OS/c22-13(20-14-15-3-5-23-14)9-2-1-4-21(6-9)12-10-11(17-7-16-10)18-8-19-12/h3,5,7-9H,1-2,4,6H2,(H,15,20,22)(H,16,17,18,19)/t9-/m0/s1
InChIKeyXQLLAFRLPQWEKX-VIFPVBQESA-N
XLogP1.66
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-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

(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40920901
(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921094
(3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40920678
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921246
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 86808303
(3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40816072
(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40816143
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903
(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95985916
(3S)-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40826525
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 124976321

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 40920723) is (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)[C@H]1CCCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is XQLLAFRLPQWEKX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N7OS/c22-13(20-14-15-3-5-23-14)9-2-1-4-21(6-9)12-10-11(17-7-16-10)18-8-19-12/h3,5,7-9H,1-2,4,6H2,(H,15,20,22)(H,16,17,18,19)/t9-/m0/s1.
What are the key properties of (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 40920723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).