4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole

C16H16N2S — CID 143643335

IUPAC4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole
SMILESCCc1ccc2c(C)cc(-c3csc(C)n3)nc2c1
InChIInChI=1S/C16H16N2S/c1-4-12-5-6-13-10(2)7-15(18-14(13)8-12)16-9-19-11(3)17-16/h5-9H,4H2,1-3H3
InChIKeyBNIAVHRZEBZFGW-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.54
Rot. Bonds2

About 4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole

4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole (PubChem CID 143643335) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole
PubChem CID143643335
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole
SMILESCCc1ccc2c(C)cc(-c3csc(C)n3)nc2c1
InChIInChI=1S/C16H16N2S/c1-4-12-5-6-13-10(2)7-15(18-14(13)8-12)16-9-19-11(3)17-16/h5-9H,4H2,1-3H3
InChIKeyBNIAVHRZEBZFGW-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
CID 122265
2-(2-Thienyl)quinoline
CID 251365
Ethanamine, N,N-dimethyl-2-((3-phenyl-2-quinolinyl)thio)-, hydrochloride (1:1)
CID 174433
(R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazole
CID 10428027
2-(2-Dimethylaminoethylthio)-3-isopropylquinoline hydrochloride
CID 3028230
2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole
CID 11553554
(R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-phenylthiazole
CID 11718272
N,N-diethyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride
CID 13200279
1-{2-[4-(2-Methyl-thiazol-4-yl)-phenyl]-ethyl}-4-naphthalen-1-yl-piperazine
CID 14727012
2-(1,3-Thiazol-2-yl)quinoline
CID 1473004
2-Benzothiazol-2-yl-quinoline
CID 699802
Quinoline, 2-((2-(dimethylamino)ethyl)thio)-4-phenyl-, monohydrochloride
CID 357522

Frequently Asked Questions

What is the IUPAC name of 4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole (CID 143643335) is 4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole is CCc1ccc2c(C)cc(-c3csc(C)n3)nc2c1.
What is the InChIKey of 4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole?
The InChIKey is BNIAVHRZEBZFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-4-12-5-6-13-10(2)7-15(18-14(13)8-12)16-9-19-11(3)17-16/h5-9H,4H2,1-3H3.
What are the key properties of 4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole?
4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole has a molecular weight of 268.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 143643335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).