[4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C20H20N4OS — CID 125437111

IUPAC[4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESNc1cnccc1-c1ccc(C(=O)N2CCCC[C@H]2c2nccs2)cc1
InChIInChI=1S/C20H20N4OS/c21-17-13-22-9-8-16(17)14-4-6-15(7-5-14)20(25)24-11-2-1-3-18(24)19-23-10-12-26-19/h4-10,12-13,18H,1-3,11,21H2/t18-/m0/s1
InChIKeyXUEUMPQFBCWIAO-SFHVURJKSA-N
MW364.47 g/mol
LogP4.15
Rot. Bonds3

About [4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 125437111) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is [4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID125437111
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name[4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESNc1cnccc1-c1ccc(C(=O)N2CCCC[C@H]2c2nccs2)cc1
InChIInChI=1S/C20H20N4OS/c21-17-13-22-9-8-16(17)14-4-6-15(7-5-14)20(25)24-11-2-1-3-18(24)19-23-10-12-26-19/h4-10,12-13,18H,1-3,11,21H2/t18-/m0/s1
InChIKeyXUEUMPQFBCWIAO-SFHVURJKSA-N
XLogP4.15
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119069341
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 131904764
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
[4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
CID 90205476
(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119873463
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99928980
2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131942046
[4-(tetrazol-1-ylmethyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95148870
[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 156585181
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 97110192

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 125437111) is [4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is Nc1cnccc1-c1ccc(C(=O)N2CCCC[C@H]2c2nccs2)cc1.
What is the InChIKey of [4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XUEUMPQFBCWIAO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4OS/c21-17-13-22-9-8-16(17)14-4-6-15(7-5-14)20(25)24-11-2-1-3-18(24)19-23-10-12-26-19/h4-10,12-13,18H,1-3,11,21H2/t18-/m0/s1.
What are the key properties of [4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 364.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125437111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).