[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate

C24H19ClN2O5S — CID 43026778

IUPAC[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate
SMILESCOc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(-c3ccccc3Cl)o2)cs1
InChIInChI=1S/C24H19ClN2O5S/c1-15(28)27(19-9-5-6-10-21(19)30-2)24-26-16(14-33-24)13-31-23(29)22-12-11-20(32-22)17-7-3-4-8-18(17)25/h3-12,14H,13H2,1-2H3
InChIKeyPPKAYXRYMWQPKT-UHFFFAOYSA-N
MW482.95 g/mol
LogP6.11
Rot. Bonds7

About [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate

[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate (PubChem CID 43026778) has the molecular formula C24H19ClN2O5S and a molecular weight of 482.95 g/mol. Its IUPAC name is [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate
PubChem CID43026778
Molecular FormulaC24H19ClN2O5S
Molecular Weight482.95 g/mol
Exact Mass482.07
IUPAC Name[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate
SMILESCOc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(-c3ccccc3Cl)o2)cs1
InChIInChI=1S/C24H19ClN2O5S/c1-15(28)27(19-9-5-6-10-21(19)30-2)24-26-16(14-33-24)13-31-23(29)22-12-11-20(32-22)17-7-3-4-8-18(17)25/h3-12,14H,13H2,1-2H3
InChIKeyPPKAYXRYMWQPKT-UHFFFAOYSA-N
XLogP6.11
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.95
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7478091
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-chloro-5-methylsulfonylbenzoate
CID 42983321
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 1-methylpyrrole-2-carboxylate
CID 7284487
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548719
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate
CID 27535390
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-acetamido-4,5-dimethoxybenzoate
CID 55311287
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3-fluoro-4-methylbenzoate
CID 9386935
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-butoxy-3-methoxybenzoate
CID 42983212
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 42983244
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate
CID 31660113
N-[4-[(4-acetylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 31980575
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate
CID 75524646

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate?
The IUPAC name of [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate (CID 43026778) is [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate.
What is the SMILES notation for [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate?
The canonical SMILES for [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate is COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(-c3ccccc3Cl)o2)cs1.
What is the InChIKey of [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate?
The InChIKey is PPKAYXRYMWQPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5S/c1-15(28)27(19-9-5-6-10-21(19)30-2)24-26-16(14-33-24)13-31-23(29)22-12-11-20(32-22)17-7-3-4-8-18(17)25/h3-12,14H,13H2,1-2H3.
What are the key properties of [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate?
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate has a molecular weight of 482.95 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 5-(2-chlorophenyl)furan-2-carboxylate is sourced from PubChem (CID 43026778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).