2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde

C14H10N2OS — CID 79235363

IUPAC2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde
SMILESCc1cc(-c2nc(C=O)cs2)c2ccccc2n1
InChIInChI=1S/C14H10N2OS/c1-9-6-12(14-16-10(7-17)8-18-14)11-4-2-3-5-13(11)15-9/h2-8H,1H3
InChIKeyGZCGCCFIFTWNQP-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.48
Rot. Bonds2

About 2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde

2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 79235363) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID79235363
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde
SMILESCc1cc(-c2nc(C=O)cs2)c2ccccc2n1
InChIInChI=1S/C14H10N2OS/c1-9-6-12(14-16-10(7-17)8-18-14)11-4-2-3-5-13(11)15-9/h2-8H,1H3
InChIKeyGZCGCCFIFTWNQP-UHFFFAOYSA-N
XLogP3.48
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.48
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

2-(2-methylquinolin-4-yl)-4-phenyl-1,3-thiazole
CID 103597581
2-methyl-4-thiophen-2-ylquinoline
CID 11746306
4-methylquinoline-2-carbaldehyde
CID 12735795
N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
CID 82447733
2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol
CID 103597586
6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
CID 114755476
2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde
CID 45480208
2-methylquinolin-4-amine
CID 162035180
1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 79235133
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde
CID 116889414
2-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carbaldehyde
CID 63841527
1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde
CID 106716499

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde (CID 79235363) is 2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde is Cc1cc(-c2nc(C=O)cs2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is GZCGCCFIFTWNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-9-6-12(14-16-10(7-17)8-18-14)11-4-2-3-5-13(11)15-9/h2-8H,1H3.
What are the key properties of 2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde?
2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 254.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 79235363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).