[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C20H21N5OS — CID 119069341

IUPAC[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(-c2ccc(C(=O)N3CCCCC3c3nccs3)cc2)nc(N)n1
InChIInChI=1S/C20H21N5OS/c1-13-12-16(24-20(21)23-13)14-5-7-15(8-6-14)19(26)25-10-3-2-4-17(25)18-22-9-11-27-18/h5-9,11-12,17H,2-4,10H2,1H3,(H2,21,23,24)
InChIKeyYGGOTRAYIFFPCX-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.86
Rot. Bonds3

About [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 119069341) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID119069341
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(-c2ccc(C(=O)N3CCCCC3c3nccs3)cc2)nc(N)n1
InChIInChI=1S/C20H21N5OS/c1-13-12-16(24-20(21)23-13)14-5-7-15(8-6-14)19(26)25-10-3-2-4-17(25)18-22-9-11-27-18/h5-9,11-12,17H,2-4,10H2,1H3,(H2,21,23,24)
InChIKeyYGGOTRAYIFFPCX-UHFFFAOYSA-N
XLogP3.86
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 119061895
[4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125437111
(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
[3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 169411424
(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
[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
4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 72924061
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719
(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 97118078

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 119069341) is [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1cc(-c2ccc(C(=O)N3CCCCC3c3nccs3)cc2)nc(N)n1.
What is the InChIKey of [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is YGGOTRAYIFFPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-13-12-16(24-20(21)23-13)14-5-7-15(8-6-14)19(26)25-10-3-2-4-17(25)18-22-9-11-27-18/h5-9,11-12,17H,2-4,10H2,1H3,(H2,21,23,24).
What are the key properties of [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 379.49 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119069341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).