[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone

C19H19N5OS — CID 16669854

IUPAC[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
SMILESCc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cnsc3)CC2)n1
InChIInChI=1S/C19H19N5OS/c1-13-21-11-17(14-2-6-20-7-3-14)18(23-13)15-4-8-24(9-5-15)19(25)16-10-22-26-12-16/h2-3,6-7,10-12,15H,4-5,8-9H2,1H3
InChIKeyKBRPISWBDWNTJR-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.32
Rot. Bonds3

About [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone

[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone (PubChem CID 16669854) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
PubChem CID16669854
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
SMILESCc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cnsc3)CC2)n1
InChIInChI=1S/C19H19N5OS/c1-13-21-11-17(14-2-6-20-7-3-14)18(23-13)15-4-8-24(9-5-15)19(25)16-10-22-26-12-16/h2-3,6-7,10-12,15H,4-5,8-9H2,1H3
InChIKeyKBRPISWBDWNTJR-UHFFFAOYSA-N
XLogP3.32
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 16669455
1,3-benzodioxol-5-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16669558
(4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone
CID 95833568
1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669837
(4-fluorophenyl)-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965148
2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 16669839
[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46954753
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 46965174
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 46965180
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965157
cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965192
1-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 46965194

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
The IUPAC name of [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone (CID 16669854) is [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
The canonical SMILES for [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone is Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cnsc3)CC2)n1.
What is the InChIKey of [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
The InChIKey is KBRPISWBDWNTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-13-21-11-17(14-2-6-20-7-3-14)18(23-13)15-4-8-24(9-5-15)19(25)16-10-22-26-12-16/h2-3,6-7,10-12,15H,4-5,8-9H2,1H3.
What are the key properties of [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone has a molecular weight of 365.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 16669854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).