(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone

C21H18F2N2OS2 — CID 55671443

IUPAC(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
SMILESCc1nc(CSc2ccccc2C(=O)N2CCCc3c(F)cc(F)cc32)cs1
InChIInChI=1S/C21H18F2N2OS2/c1-13-24-15(11-27-13)12-28-20-7-3-2-5-17(20)21(26)25-8-4-6-16-18(23)9-14(22)10-19(16)25/h2-3,5,7,9-11H,4,6,8,12H2,1H3
InChIKeyPMAPDKPHDPGSMI-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.62
Rot. Bonds4

About (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone

(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone (PubChem CID 55671443) has the molecular formula C21H18F2N2OS2 and a molecular weight of 416.52 g/mol. Its IUPAC name is (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone.

Molecular Properties

Compound Name(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
PubChem CID55671443
Molecular FormulaC21H18F2N2OS2
Molecular Weight416.52 g/mol
Exact Mass416.08
IUPAC Name(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
SMILESCc1nc(CSc2ccccc2C(=O)N2CCCc3c(F)cc(F)cc32)cs1
InChIInChI=1S/C21H18F2N2OS2/c1-13-24-15(11-27-13)12-28-20-7-3-2-5-17(20)21(26)25-8-4-6-16-18(23)9-14(22)10-19(16)25/h2-3,5,7,9-11H,4,6,8,12H2,1H3
InChIKeyPMAPDKPHDPGSMI-UHFFFAOYSA-N
XLogP5.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 42030584
4-hydroxy-1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxylic acid
CID 119250807
2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
CID 55566985
(3S)-1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-3-carboxylic acid
CID 119173516
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55671504
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone
CID 52723946
[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 31306162
N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 47140365
(2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872247
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)benzamide
CID 51339938
1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
CID 112834071
[4-(2-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
CID 24624238

Frequently Asked Questions

What is the IUPAC name of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone?
The IUPAC name of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone (CID 55671443) is (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone.
What is the SMILES notation for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone?
The canonical SMILES for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone is Cc1nc(CSc2ccccc2C(=O)N2CCCc3c(F)cc(F)cc32)cs1.
What is the InChIKey of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone?
The InChIKey is PMAPDKPHDPGSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2OS2/c1-13-24-15(11-27-13)12-28-20-7-3-2-5-17(20)21(26)25-8-4-6-16-18(23)9-14(22)10-19(16)25/h2-3,5,7,9-11H,4,6,8,12H2,1H3.
What are the key properties of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone?
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone has a molecular weight of 416.52 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone is sourced from PubChem (CID 55671443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).