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

C22H19N3OS — CID 5310436

IUPAC3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
SMILESCc1c(C(=O)N2CCCc3ccccc32)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C22H19N3OS/c1-15-20(21(26)24-13-7-11-17-10-5-6-12-19(17)24)27-22-23-18(14-25(15)22)16-8-3-2-4-9-16/h2-6,8-10,12,14H,7,11,13H2,1H3
InChIKeyHLYVMVMIKOTQTK-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.96
Rot. Bonds2

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

3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone (PubChem CID 5310436) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
PubChem CID5310436
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
SMILESCc1c(C(=O)N2CCCc3ccccc32)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C22H19N3OS/c1-15-20(21(26)24-13-7-11-17-10-5-6-12-19(17)24)27-22-23-18(14-25(15)22)16-8-3-2-4-9-16/h2-6,8-10,12,14H,7,11,13H2,1H3
InChIKeyHLYVMVMIKOTQTK-UHFFFAOYSA-N
XLogP4.96
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone (CID 5310436) is 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone is Cc1c(C(=O)N2CCCc3ccccc32)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
The InChIKey is HLYVMVMIKOTQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-15-20(21(26)24-13-7-11-17-10-5-6-12-19(17)24)27-22-23-18(14-25(15)22)16-8-3-2-4-9-16/h2-6,8-10,12,14H,7,11,13H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone has a molecular weight of 373.48 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone is sourced from PubChem (CID 5310436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).