2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde

C15H16N2O2S — CID 107508921

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N2CCCc3ccccc32)sc1C=O
InChIInChI=1S/C15H16N2O2S/c1-19-10-12-14(9-18)20-15(16-12)17-8-4-6-11-5-2-3-7-13(11)17/h2-3,5,7,9H,4,6,8,10H2,1H3
InChIKeyKTFFCCHNWDBOJR-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.19
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde

2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 107508921) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID107508921
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N2CCCc3ccccc32)sc1C=O
InChIInChI=1S/C15H16N2O2S/c1-19-10-12-14(9-18)20-15(16-12)17-8-4-6-11-5-2-3-7-13(11)17/h2-3,5,7,9H,4,6,8,10H2,1H3
InChIKeyKTFFCCHNWDBOJR-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107508919
[2-(3,4-dihydro-2H-quinolin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766572
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763943
[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510701
2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 114279596
2-[4-(dimethylamino)piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508976
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161957
ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate
CID 80567840
4-(methoxymethyl)-2-(2-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 107508936
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid
CID 95924961
2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977604
ethyl 2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3-thiazole-4-carboxylate
CID 80569322

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (CID 107508921) is 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is COCc1nc(N2CCCc3ccccc32)sc1C=O.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is KTFFCCHNWDBOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-10-12-14(9-18)20-15(16-12)17-8-4-6-11-5-2-3-7-13(11)17/h2-3,5,7,9H,4,6,8,10H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 288.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107508921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).