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

C20H19FN4OS — CID 53172783

IUPAC(3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1csc(-c2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc2)n1
InChIInChI=1S/C20H19FN4OS/c1-14-13-27-19(23-14)16-5-6-18(22-12-16)24-7-9-25(10-8-24)20(26)15-3-2-4-17(21)11-15/h2-6,11-13H,7-10H2,1H3
InChIKeyDOFJRTWDUQSYCB-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.62
Rot. Bonds3

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

(3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 53172783) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID53172783
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name(3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1csc(-c2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc2)n1
InChIInChI=1S/C20H19FN4OS/c1-14-13-27-19(23-14)16-5-6-18(22-12-16)24-7-9-25(10-8-24)20(26)15-3-2-4-17(21)11-15/h2-6,11-13H,7-10H2,1H3
InChIKeyDOFJRTWDUQSYCB-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 53172783) is (3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1csc(-c2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc2)n1.
What is the InChIKey of (3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is DOFJRTWDUQSYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c1-14-13-27-19(23-14)16-5-6-18(22-12-16)24-7-9-25(10-8-24)20(26)15-3-2-4-17(21)11-15/h2-6,11-13H,7-10H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53172783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).