6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole

C18H18N2S — CID 39104953

IUPAC6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(CN3CCCc4ccccc43)cc2s1
InChIInChI=1S/C18H18N2S/c1-13-19-16-9-8-14(11-18(16)21-13)12-20-10-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3
InChIKeyLUQHOEZAUUVFMO-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.56
Rot. Bonds2

About 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole

6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole (PubChem CID 39104953) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole
PubChem CID39104953
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(CN3CCCc4ccccc43)cc2s1
InChIInChI=1S/C18H18N2S/c1-13-19-16-9-8-14(11-18(16)21-13)12-20-10-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3
InChIKeyLUQHOEZAUUVFMO-UHFFFAOYSA-N
XLogP4.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
CID 28721399
2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole
CID 170326044
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-ethylpyridin-2-amine
CID 62182330
[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine
CID 142258246
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one
CID 156870380
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
CID 117212734
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160879
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile
CID 106787989
(3S,4R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846823
N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120838011

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole (CID 39104953) is 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole is Cc1nc2ccc(CN3CCCc4ccccc43)cc2s1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole?
The InChIKey is LUQHOEZAUUVFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13-19-16-9-8-14(11-18(16)21-13)12-20-10-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3.
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole?
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole has a molecular weight of 294.42 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 39104953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).