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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Related Compounds

Timegadine
CID 68902
4-Pyridin-2-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 9796486
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CID 9900444
(R)-4-(4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazol-2-yl)morpholine
CID 11669001
4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
CID 11403950
(-)-(S)-N6-Propyl-N6-(2-(4-(quinolin-4-yl)piperazin-1-yl)ethyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
CID 45486325
(-)-(S)-N6-Propyl-N6-(2-(4-(quinolin-5-yl)piperazin-1-yl)ethyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
CID 45486328
2-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71456681
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263
2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10358578
4-(4-Methylpiperazin-1-yl)-7-thiophen-3-ylquinazolin-2-amine
CID 49841846
2-Phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
CID 71256323

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).