4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde

C16H18N2OS — CID 160763036

IUPAC4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(CCCc2ccc3c(n2)CCCC3)cs1
InChIInChI=1S/C16H18N2OS/c19-10-16-18-14(11-20-16)6-3-5-13-9-8-12-4-1-2-7-15(12)17-13/h8-11H,1-7H2
InChIKeyIETPTWZPIMOUBU-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.40
Rot. Bonds5

About 4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde

4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde (PubChem CID 160763036) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde
PubChem CID160763036
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(CCCc2ccc3c(n2)CCCC3)cs1
InChIInChI=1S/C16H18N2OS/c19-10-16-18-14(11-20-16)6-3-5-13-9-8-12-4-1-2-7-15(12)17-13/h8-11H,1-7H2
InChIKeyIETPTWZPIMOUBU-UHFFFAOYSA-N
XLogP3.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-1,3-thiazole-2-carbaldehyde
CID 3538814
4-(4-Methylphenyl)-1,3-thiazole-2-carbaldehyde
CID 3614025
2-[2-(4-Fluoro-1,3-thiazol-2-yl)ethynyl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
CID 174543268
5-Ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde
CID 105496053
5-Ethyl-4-(4-fluorophenyl)-1,3-thiazole-2-carbaldehyde
CID 105496054
5-Ethyl-4-(2-fluorophenyl)-1,3-thiazole-2-carbaldehyde
CID 105496055
3,13-Dithia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-4-carbaldehyde
CID 11779285
5-Methyl-4-phenylthiazole-2-carbaldehyde
CID 53415083
4-(Pyridin-3-yl)thiazole-2-carbaldehyde
CID 57137397
(4,5-Diphenyl-1,3-thiazol-2-yl)methanone
CID 59799420
4,5-Diphenyl-1,3-thiazole-2-carbaldehyde
CID 62921976
4-(6-Benzyl-2-pyridinyl)-2-methyl-1,3-thiazole
CID 85652550

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde (CID 160763036) is 4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde is O=Cc1nc(CCCc2ccc3c(n2)CCCC3)cs1.
What is the InChIKey of 4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde?
The InChIKey is IETPTWZPIMOUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-10-16-18-14(11-20-16)6-3-5-13-9-8-12-4-1-2-7-15(12)17-13/h8-11H,1-7H2.
What are the key properties of 4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde?
4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde has a molecular weight of 286.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 160763036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).