(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone

C21H21FN4OS — CID 154820006

IUPAC(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C21H21FN4OS/c1-2-16-18(28-20(25-16)19-23-11-5-12-24-19)21(27)26-13-4-3-6-17(26)14-7-9-15(22)10-8-14/h5,7-12,17H,2-4,6,13H2,1H3
InChIKeyASZFRLFIHMRIKO-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.67
Rot. Bonds4

About (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone

(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 154820006) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID154820006
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC Name(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C21H21FN4OS/c1-2-16-18(28-20(25-16)19-23-11-5-12-24-19)21(27)26-13-4-3-6-17(26)14-7-9-15(22)10-8-14/h5,7-12,17H,2-4,6,13H2,1H3
InChIKeyASZFRLFIHMRIKO-UHFFFAOYSA-N
XLogP4.67
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone (CID 154820006) is (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone is CCc1nc(-c2ncccn2)sc1C(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is ASZFRLFIHMRIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4OS/c1-2-16-18(28-20(25-16)19-23-11-5-12-24-19)21(27)26-13-4-3-6-17(26)14-7-9-15(22)10-8-14/h5,7-12,17H,2-4,6,13H2,1H3.
What are the key properties of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone?
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 396.49 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 154820006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).