4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane

C18H26N2S — CID 145092401

IUPAC4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane
SMILESCCCCC.CN1CCCc2cc(-c3cscn3)ccc21
InChIInChI=1S/C13H14N2S.C5H12/c1-15-6-2-3-11-7-10(4-5-13(11)15)12-8-16-9-14-12;1-3-5-4-2/h4-5,7-9H,2-3,6H2,1H3;3-5H2,1-2H3
InChIKeyXCYQSRNKYQHGDX-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.39
Rot. Bonds3

About 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane

4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane (PubChem CID 145092401) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane.

Molecular Properties

Compound Name4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane
PubChem CID145092401
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane
SMILESCCCCC.CN1CCCc2cc(-c3cscn3)ccc21
InChIInChI=1S/C13H14N2S.C5H12/c1-15-6-2-3-11-7-10(4-5-13(11)15)12-8-16-9-14-12;1-3-5-4-2/h4-5,7-9H,2-3,6H2,1H3;3-5H2,1-2H3
InChIKeyXCYQSRNKYQHGDX-UHFFFAOYSA-N
XLogP5.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145091188
2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane
CID 145091245
6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane
CID 145105898
heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
CID 145090879
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid
CID 55035014
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62096142
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one
CID 142740751
5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one
CID 66312584
N-ethyl-6-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidin-4-amine
CID 62202397

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane?
The IUPAC name of 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane (CID 145092401) is 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane.
What is the SMILES notation for 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane?
The canonical SMILES for 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane is CCCCC.CN1CCCc2cc(-c3cscn3)ccc21.
What is the InChIKey of 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane?
The InChIKey is XCYQSRNKYQHGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S.C5H12/c1-15-6-2-3-11-7-10(4-5-13(11)15)12-8-16-9-14-12;1-3-5-4-2/h4-5,7-9H,2-3,6H2,1H3;3-5H2,1-2H3.
What are the key properties of 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane?
4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane has a molecular weight of 302.49 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane is sourced from PubChem (CID 145092401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).