(4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole

C18H22N2O2S — CID 102339435

IUPAC(4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCOc1ccc2c(OC)cc(C3=N[C@@H](C(C)C)CS3)nc2c1C
InChIInChI=1S/C18H22N2O2S/c1-10(2)14-9-23-18(20-14)13-8-16(22-5)12-6-7-15(21-4)11(3)17(12)19-13/h6-8,10,14H,9H2,1-5H3/t14-/m1/s1
InChIKeyITMCCYVKPQQPMR-CQSZACIVSA-N
MW330.45 g/mol
LogP4.08
Rot. Bonds4

About (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole

(4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 102339435) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID102339435
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCOc1ccc2c(OC)cc(C3=N[C@@H](C(C)C)CS3)nc2c1C
InChIInChI=1S/C18H22N2O2S/c1-10(2)14-9-23-18(20-14)13-8-16(22-5)12-6-7-15(21-4)11(3)17(12)19-13/h6-8,10,14H,9H2,1-5H3/t14-/m1/s1
InChIKeyITMCCYVKPQQPMR-CQSZACIVSA-N
XLogP4.08
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole 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

2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole
CID 152754435
2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole
CID 70990329
tert-butyl (2S,4R)-2-[[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidine-1-carboxylate
CID 70890548
6-(4,7-dimethoxy-8-methylquinolin-2-yl)-N-propan-2-ylpyridin-2-amine
CID 70836068
(2S)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidine-2-carboxamide
CID 89071303
4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole
CID 58078434
2,4-dichloro-7-methoxy-8-methylquinoline
CID 53400954
2-(7-methoxy-4,8-dimethylquinolin-2-yl)-1,3-thiazol-4-amine
CID 143844698
methyl 4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidine-2-carboxylate
CID 123954642
(2S,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidine-2-carboxamide
CID 66828811
methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate
CID 123708985
(4S)-N-(4-bromo-3-methoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 82859403

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole (CID 102339435) is (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole is COc1ccc2c(OC)cc(C3=N[C@@H](C(C)C)CS3)nc2c1C.
What is the InChIKey of (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is ITMCCYVKPQQPMR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-10(2)14-9-23-18(20-14)13-8-16(22-5)12-6-7-15(21-4)11(3)17(12)19-13/h6-8,10,14H,9H2,1-5H3/t14-/m1/s1.
What are the key properties of (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
(4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 330.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4,7-dimethoxy-8-methylquinolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 102339435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).