3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal

C12H10ClNOS — CID 82024303

IUPAC3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal
SMILESO=CC(Cc1cccc(Cl)c1)c1nccs1
InChIInChI=1S/C12H10ClNOS/c13-11-3-1-2-9(7-11)6-10(8-15)12-14-4-5-16-12/h1-5,7-8,10H,6H2
InChIKeyPHEDFSIJEUKENZ-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.32
Rot. Bonds4

About 3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal

3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal (PubChem CID 82024303) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal
PubChem CID82024303
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal
SMILESO=CC(Cc1cccc(Cl)c1)c1nccs1
InChIInChI=1S/C12H10ClNOS/c13-11-3-1-2-9(7-11)6-10(8-15)12-14-4-5-16-12/h1-5,7-8,10H,6H2
InChIKeyPHEDFSIJEUKENZ-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-4-yl-2-(1,3-thiazol-2-yl)propanal
CID 82024295
N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588659
1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823913
(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81366500
3-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 63799658
3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 75441285
[3-[(2S)-2-azido-2-(1,3-thiazol-2-yl)ethyl]phenyl] carbamate
CID 175092655
N-amino-N-[(3-chlorophenyl)methyl]formamide
CID 87961118
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)propanal
CID 174692002
N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598627
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal?
The IUPAC name of 3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal (CID 82024303) is 3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal?
The canonical SMILES for 3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal is O=CC(Cc1cccc(Cl)c1)c1nccs1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal?
The InChIKey is PHEDFSIJEUKENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-11-3-1-2-9(7-11)6-10(8-15)12-14-4-5-16-12/h1-5,7-8,10H,6H2.
What are the key properties of 3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal?
3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal has a molecular weight of 251.74 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal is sourced from PubChem (CID 82024303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).