2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde

C18H15N3OS — CID 174523926

IUPAC2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
SMILESO=CC1CCCc2nc(-c3ncc(-c4cccnc4)s3)ccc21
InChIInChI=1S/C18H15N3OS/c22-11-13-3-1-5-15-14(13)6-7-16(21-15)18-20-10-17(23-18)12-4-2-8-19-9-12/h2,4,6-11,13H,1,3,5H2
InChIKeyOZGPNNOMRVJVSU-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.89
Rot. Bonds3

About 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde

2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde (PubChem CID 174523926) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde.

Molecular Properties

Compound Name2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
PubChem CID174523926
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
SMILESO=CC1CCCc2nc(-c3ncc(-c4cccnc4)s3)ccc21
InChIInChI=1S/C18H15N3OS/c22-11-13-3-1-5-15-14(13)6-7-16(21-15)18-20-10-17(23-18)12-4-2-8-19-9-12/h2,4,6-11,13H,1,3,5H2
InChIKeyOZGPNNOMRVJVSU-UHFFFAOYSA-N
XLogP3.89
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde with MolForge

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Related Compounds

2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 91162501
1-(1-Ethyl-4-fluoropiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 147316978
1-[1-(2,2-Difluoropropyl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 148120382
1-[1-[(2S)-2-fluoropropyl]piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 148687520
1-[4-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 148713471
1-(1-Fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 148852566
1-(4-Fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 153091535
1-[1-(2-Fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 157994049
1-[4-Fluoro-1-(2-fluoroethyl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 158847137
2-[6-(1,3-Thiazol-5-yl)isoquinolin-3-yl]-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethanone
CID 158904377
1-[1-[(2R)-2-fluoropropyl]piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 159875093
1-[4-(2-Fluoroethyl)piperazin-1-yl]-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one
CID 160992536

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The IUPAC name of 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde (CID 174523926) is 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde.
What is the SMILES notation for 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The canonical SMILES for 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde is O=CC1CCCc2nc(-c3ncc(-c4cccnc4)s3)ccc21.
What is the InChIKey of 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The InChIKey is OZGPNNOMRVJVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-11-13-3-1-5-15-14(13)6-7-16(21-15)18-20-10-17(23-18)12-4-2-8-19-9-12/h2,4,6-11,13H,1,3,5H2.
What are the key properties of 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde has a molecular weight of 321.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-5-carbaldehyde is sourced from PubChem (CID 174523926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).