(2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C25H23N5OS — CID 45251711

IUPAC(2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCC(c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)cs1
InChIInChI=1S/C25H23N5OS/c1-17-28-22(16-32-17)25(31)30-13-5-8-20(15-30)23-21(18-6-3-2-4-7-18)14-27-24(29-23)19-9-11-26-12-10-19/h2-4,6-7,9-12,14,16,20H,5,8,13,15H2,1H3
InChIKeyUXNSQJPQLMLUDZ-UHFFFAOYSA-N
MW441.56 g/mol
LogP4.99
Rot. Bonds4

About (2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 45251711) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID45251711
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCC(c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)cs1
InChIInChI=1S/C25H23N5OS/c1-17-28-22(16-32-17)25(31)30-13-5-8-20(15-30)23-21(18-6-3-2-4-7-18)14-27-24(29-23)19-9-11-26-12-10-19/h2-4,6-7,9-12,14,16,20H,5,8,13,15H2,1H3
InChIKeyUXNSQJPQLMLUDZ-UHFFFAOYSA-N
XLogP4.99
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 45251711) is (2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCC(c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is UXNSQJPQLMLUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS/c1-17-28-22(16-32-17)25(31)30-13-5-8-20(15-30)23-21(18-6-3-2-4-7-18)14-27-24(29-23)19-9-11-26-12-10-19/h2-4,6-7,9-12,14,16,20H,5,8,13,15H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 441.56 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 45251711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).