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

C20H19FN4OS — CID 46960911

IUPAC(2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3ccccc3F)CC2)sc1-c1ccncn1
InChIInChI=1S/C20H19FN4OS/c1-13-18(17-6-9-22-12-23-17)27-19(24-13)14-7-10-25(11-8-14)20(26)15-4-2-3-5-16(15)21/h2-6,9,12,14H,7-8,10-11H2,1H3
InChIKeyVVYXQKPBRDTHOK-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.07
Rot. Bonds3

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

(2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 46960911) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID46960911
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name(2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3ccccc3F)CC2)sc1-c1ccncn1
InChIInChI=1S/C20H19FN4OS/c1-13-18(17-6-9-22-12-23-17)27-19(24-13)14-7-10-25(11-8-14)20(26)15-4-2-3-5-16(15)21/h2-6,9,12,14H,7-8,10-11H2,1H3
InChIKeyVVYXQKPBRDTHOK-UHFFFAOYSA-N
XLogP4.07
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 46960928
cyclopentyl-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 46953462
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110289890
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone
CID 17499712
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55699853
ethyl 4-[4-(2-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 15604484
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 1430879
(2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone
CID 155985450
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 20971150
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376400
(2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 124980202

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 46960911) is (2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)c3ccccc3F)CC2)sc1-c1ccncn1.
What is the InChIKey of (2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is VVYXQKPBRDTHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c1-13-18(17-6-9-22-12-23-17)27-19(24-13)14-7-10-25(11-8-14)20(26)15-4-2-3-5-16(15)21/h2-6,9,12,14H,7-8,10-11H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46960911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).