[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C23H20FN3OS — CID 121031494

IUPAC[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C23H20FN3OS/c1-14-5-10-20-17(12-14)4-3-11-26(20)22(28)21-15(2)27-13-19(25-23(27)29-21)16-6-8-18(24)9-7-16/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyUYKAQQKKXRIZTH-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.41
Rot. Bonds2

About [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 121031494) has the molecular formula C23H20FN3OS and a molecular weight of 405.50 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID121031494
Molecular FormulaC23H20FN3OS
Molecular Weight405.50 g/mol
Exact Mass405.13
IUPAC Name[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C23H20FN3OS/c1-14-5-10-20-17(12-14)4-3-11-26(20)22(28)21-15(2)27-13-19(25-23(27)29-21)16-6-8-18(24)9-7-16/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyUYKAQQKKXRIZTH-UHFFFAOYSA-N
XLogP5.41
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 121031494) is [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C.
What is the InChIKey of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is UYKAQQKKXRIZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3OS/c1-14-5-10-20-17(12-14)4-3-11-26(20)22(28)21-15(2)27-13-19(25-23(27)29-21)16-6-8-18(24)9-7-16/h5-10,12-13H,3-4,11H2,1-2H3.
What are the key properties of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 405.50 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 121031494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).