[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate

C17H14N2O5S — CID 2413699

IUPAC[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C17H14N2O5S/c1-22-12-6-4-11(5-7-12)13-10-25-17(18-13)19-15(20)9-24-16(21)14-3-2-8-23-14/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyFPMDVJWANASOQN-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.21
Rot. Bonds6

About [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 2413699) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
PubChem CID2413699
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C17H14N2O5S/c1-22-12-6-4-11(5-7-12)13-10-25-17(18-13)19-15(20)9-24-16(21)14-3-2-8-23-14/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyFPMDVJWANASOQN-UHFFFAOYSA-N
XLogP3.21
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 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

Tioxamast
CID 68927
Ethyl [2-(2-furoylamino)-1,3-thiazol-4-yl]acetate
CID 674924
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 694812
N-(4-methyl-1,3-thiazol-2-yl)-5-(phenoxymethyl)furan-2-carboxamide
CID 4791237
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 733820
Furan-2-carboxylic acid methyl-(4-phenyl-thiazol-2-yl)-amide
CID 861583
Furan-2-carboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-methyl-amide
CID 862765
Ethyl 2-(benzofuran-2-carboxamido)thiazole-4-carboxylate
CID 2308234
Ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate (CID 2413699) is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate is COc1ccc(-c2csc(NC(=O)COC(=O)c3ccco3)n2)cc1.
What is the InChIKey of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is FPMDVJWANASOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-22-12-6-4-11(5-7-12)13-10-25-17(18-13)19-15(20)9-24-16(21)14-3-2-8-23-14/h2-8,10H,9H2,1H3,(H,18,19,20).
What are the key properties of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate?
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 358.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2413699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).