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

C12H10ClNO2S — CID 116968816

IUPAC2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
SMILESCOc1ccc(Cl)cc1-c1csc(CC=O)n1
InChIInChI=1S/C12H10ClNO2S/c1-16-11-3-2-8(13)6-9(11)10-7-17-12(14-10)4-5-15/h2-3,5-7H,4H2,1H3
InChIKeyJARQOMBRVJOIJR-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.21
Rot. Bonds4

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

2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde (PubChem CID 116968816) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
PubChem CID116968816
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
SMILESCOc1ccc(Cl)cc1-c1csc(CC=O)n1
InChIInChI=1S/C12H10ClNO2S/c1-16-11-3-2-8(13)6-9(11)10-7-17-12(14-10)4-5-15/h2-3,5-7H,4H2,1H3
InChIKeyJARQOMBRVJOIJR-UHFFFAOYSA-N
XLogP3.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.21
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-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940
4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566839
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
6-chloro-3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 2307482
2-[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968883
2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968887
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965875
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde?
The IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde (CID 116968816) is 2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde?
The canonical SMILES for 2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde is COc1ccc(Cl)cc1-c1csc(CC=O)n1.
What is the InChIKey of 2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde?
The InChIKey is JARQOMBRVJOIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-16-11-3-2-8(13)6-9(11)10-7-17-12(14-10)4-5-15/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde?
2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde has a molecular weight of 267.74 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde is sourced from PubChem (CID 116968816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).