2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde

C11H8ClNOS — CID 115091914

IUPAC2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H8ClNOS/c12-9-3-1-8(2-4-9)11-13-7-10(15-11)5-6-14/h1-4,6-7H,5H2
InChIKeyJPEIPNPRRZKIOX-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.20
Rot. Bonds3

About 2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde

2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde (PubChem CID 115091914) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde
PubChem CID115091914
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H8ClNOS/c12-9-3-1-8(2-4-9)11-13-7-10(15-11)5-6-14/h1-4,6-7H,5H2
InChIKeyJPEIPNPRRZKIOX-UHFFFAOYSA-N
XLogP3.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.20
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

2-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091752
2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82422531
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
CID 115091325
2-[2-(3-methylphenyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091749
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 122134144
3-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122013758
2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole
CID 13177806
2-(4-chlorophenyl)-1,3-thiazole-5-carbothioamide
CID 82422528
7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane
CID 167926234
2-[[1-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042923
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde (CID 115091914) is 2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde is O=CCc1cnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde?
The InChIKey is JPEIPNPRRZKIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c12-9-3-1-8(2-4-9)11-13-7-10(15-11)5-6-14/h1-4,6-7H,5H2.
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde?
2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde has a molecular weight of 237.71 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde is sourced from PubChem (CID 115091914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).