4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde

C11H9ClN2O2S — CID 2471296

IUPAC4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde
SMILESCOc1ccc(Nc2nc(Cl)c(C=O)s2)cc1
InChIInChI=1S/C11H9ClN2O2S/c1-16-8-4-2-7(3-5-8)13-11-14-10(12)9(6-15)17-11/h2-6H,1H3,(H,13,14)
InChIKeyNINIDNJOARBXJV-UHFFFAOYSA-N
MW268.73 g/mol
LogP3.36
Rot. Bonds4

About 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde (PubChem CID 2471296) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde
PubChem CID2471296
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde
SMILESCOc1ccc(Nc2nc(Cl)c(C=O)s2)cc1
InChIInChI=1S/C11H9ClN2O2S/c1-16-8-4-2-7(3-5-8)13-11-14-10(12)9(6-15)17-11/h2-6H,1H3,(H,13,14)
InChIKeyNINIDNJOARBXJV-UHFFFAOYSA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-2-((2-methoxyphenyl)amino)-1,3-thiazole-5-carbaldehyde
CID 2525957
Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
4-amino-N-(4-methoxyphenyl)-2-(methylthio)-5-thiazolecarboxamide
CID 325656
1-{4-Methyl-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-5-YL}ethanone hydrochloride
CID 867556
5-ethyl-N-(4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 70689835
Ethanone, 1-[2-[(4-methoxyphenyl)amino]-4-methyl-5-thiazolyl]-
CID 746628
Ethyl 2-((4-methoxyphenyl)amino)-4-methyl-1,3-thiazole-5-carboxylate
CID 8015374
AG-205/37049184
CID 692481
1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35281698
1-[4-Amino-2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]ethanone
CID 46285520
1-[4-Amino-2-(3-chloro-4-methoxyanilino)-1,3-thiazol-5-yl]-1-ethanone
CID 46285677
1-[4-Amino-2-(3,4-dimethoxyanilino)-1,3-thiazol-5-yl]ethanone
CID 46285755

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde (CID 2471296) is 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde is COc1ccc(Nc2nc(Cl)c(C=O)s2)cc1.
What is the InChIKey of 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is NINIDNJOARBXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-16-8-4-2-7(3-5-8)13-11-14-10(12)9(6-15)17-11/h2-6H,1H3,(H,13,14).
What are the key properties of 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 268.73 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 2471296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).