(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C15H12ClN3OS — CID 2312959

IUPAC(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1c(Cl)nc2sccn12)N1CCCc2ccccc21
InChIInChI=1S/C15H12ClN3OS/c16-13-12(19-8-9-21-15(19)17-13)14(20)18-7-3-5-10-4-1-2-6-11(10)18/h1-2,4,6,8-9H,3,5,7H2
InChIKeyCMDZWIOCNBJDOK-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.64
Rot. Bonds1

About (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 2312959) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID2312959
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1c(Cl)nc2sccn12)N1CCCc2ccccc21
InChIInChI=1S/C15H12ClN3OS/c16-13-12(19-8-9-21-15(19)17-13)14(20)18-7-3-5-10-4-1-2-6-11(10)18/h1-2,4,6,8-9H,3,5,7H2
InChIKeyCMDZWIOCNBJDOK-UHFFFAOYSA-N
XLogP3.64
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 2312959) is (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1c(Cl)nc2sccn12)N1CCCc2ccccc21.
What is the InChIKey of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is CMDZWIOCNBJDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-13-12(19-8-9-21-15(19)17-13)14(20)18-7-3-5-10-4-1-2-6-11(10)18/h1-2,4,6,8-9H,3,5,7H2.
What are the key properties of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 317.80 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 2312959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).