3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal

C11H10N2OS — CID 82024295

IUPAC3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal
SMILESO=CC(Cc1ccncc1)c1nccs1
InChIInChI=1S/C11H10N2OS/c14-8-10(11-13-5-6-15-11)7-9-1-3-12-4-2-9/h1-6,8,10H,7H2
InChIKeyAUTKHFNVHZWELD-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.06
Rot. Bonds4

About 3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal

3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal (PubChem CID 82024295) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal.

Molecular Properties

Compound Name3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal
PubChem CID82024295
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal
SMILESO=CC(Cc1ccncc1)c1nccs1
InChIInChI=1S/C11H10N2OS/c14-8-10(11-13-5-6-15-11)7-9-1-3-12-4-2-9/h1-6,8,10H,7H2
InChIKeyAUTKHFNVHZWELD-UHFFFAOYSA-N
XLogP2.06
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.06
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

3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal
CID 82024303
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropanal
CID 82044612
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
(2S)-2-amino-3-pyridin-4-ylpropanal
CID 22827621
3-(4-octylphenoxy)-2-(1,3-thiazol-2-yl)propanal
CID 174770722
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649
3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977590
N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline
CID 123699768
4-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)butanoic acid
CID 54127958
2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde
CID 87952587
(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 70041725

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal?
The IUPAC name of 3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal (CID 82024295) is 3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal.
What is the SMILES notation for 3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal?
The canonical SMILES for 3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal is O=CC(Cc1ccncc1)c1nccs1.
What is the InChIKey of 3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal?
The InChIKey is AUTKHFNVHZWELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c14-8-10(11-13-5-6-15-11)7-9-1-3-12-4-2-9/h1-6,8,10H,7H2.
What are the key properties of 3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal?
3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal has a molecular weight of 218.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal is sourced from PubChem (CID 82024295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).