[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

C17H17N5OS — CID 95314062

IUPAC[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccn2)n1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C17H17N5OS/c23-17(15-11-24-16(20-15)14-5-1-2-6-19-14)21-8-3-4-13(10-21)22-9-7-18-12-22/h1-2,5-7,9,11-13H,3-4,8,10H2/t13-/m1/s1
InChIKeyVQZJGHQSHKDHAC-CYBMUJFWSA-N
MW339.42 g/mol
LogP2.88
Rot. Bonds3

About [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 95314062) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID95314062
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccn2)n1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C17H17N5OS/c23-17(15-11-24-16(20-15)14-5-1-2-6-19-14)21-8-3-4-13(10-21)22-9-7-18-12-22/h1-2,5-7,9,11-13H,3-4,8,10H2/t13-/m1/s1
InChIKeyVQZJGHQSHKDHAC-CYBMUJFWSA-N
XLogP2.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124574925
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95350987
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124595892
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341522
(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95340985
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95314596
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281
[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 119489708
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (CID 95314062) is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccccn2)n1)N1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is VQZJGHQSHKDHAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-17(15-11-24-16(20-15)14-5-1-2-6-19-14)21-8-3-4-13(10-21)22-9-7-18-12-22/h1-2,5-7,9,11-13H,3-4,8,10H2/t13-/m1/s1.
What are the key properties of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 339.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95314062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).