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

C11H9ClN2O2S — CID 2525957

IUPAC4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde
SMILESCOc1ccccc1Nc1nc(Cl)c(C=O)s1
InChIInChI=1S/C11H9ClN2O2S/c1-16-8-5-3-2-4-7(8)13-11-14-10(12)9(6-15)17-11/h2-6H,1H3,(H,13,14)
InChIKeyWDVNWTFTIIZYPV-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.36
Rot. Bonds4

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

4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde (PubChem CID 2525957) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.72 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde
PubChem CID2525957
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Exact Mass268.01
IUPAC Name4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde
SMILESCOc1ccccc1Nc1nc(Cl)c(C=O)s1
InChIInChI=1S/C11H9ClN2O2S/c1-16-8-5-3-2-4-7(8)13-11-14-10(12)9(6-15)17-11/h2-6H,1H3,(H,13,14)
InChIKeyWDVNWTFTIIZYPV-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 ≤ 500268.72
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-((4-methoxyphenyl)amino)-1,3-thiazole-5-carbaldehyde
CID 2471296
2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2701314
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
2-(3-chloro-4-fluoroanilino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 177655035
1-{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}ethanone
CID 5297179
Cambridge id 5648873
CID 2857990
Methyl 4-chloro-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate
CID 60824952
Methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate
CID 60824953
Methyl 4-chloro-2-(3-fluoro-4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 60844738
Methyl 4-chloro-2-(4-fluoro-2-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 61519806
Methyl 4-chloro-2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80219908

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde (CID 2525957) is 4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde is COc1ccccc1Nc1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is WDVNWTFTIIZYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-16-8-5-3-2-4-7(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-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 268.72 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-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 2525957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).