2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole

C23H22N4S — CID 2976095

IUPAC2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole
SMILESCc1cc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)c2ccccc2n1
InChIInChI=1S/C23H22N4S/c1-17-15-22(19-9-5-6-10-20(19)24-17)26-11-13-27(14-12-26)23-25-21(16-28-23)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3
InChIKeyHTZQTFJZCQZKBO-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.99
Rot. Bonds3

About 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole

2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole (PubChem CID 2976095) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole
PubChem CID2976095
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole
SMILESCc1cc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)c2ccccc2n1
InChIInChI=1S/C23H22N4S/c1-17-15-22(19-9-5-6-10-20(19)24-17)26-11-13-27(14-12-26)23-25-21(16-28-23)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3
InChIKeyHTZQTFJZCQZKBO-UHFFFAOYSA-N
XLogP4.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole (CID 2976095) is 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole is Cc1cc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)c2ccccc2n1.
What is the InChIKey of 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole?
The InChIKey is HTZQTFJZCQZKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-17-15-22(19-9-5-6-10-20(19)24-17)26-11-13-27(14-12-26)23-25-21(16-28-23)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole?
2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole has a molecular weight of 386.52 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 2976095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).