[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate

C19H18N2O4S — CID 55529422

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate
SMILESCC(CC(=O)OCc1csc(-c2ccco2)n1)NC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O4S/c1-13(20-18(23)14-6-3-2-4-7-14)10-17(22)25-11-15-12-26-19(21-15)16-8-5-9-24-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)
InChIKeyUZNZKFHCUWMXMJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.65
Rot. Bonds7

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate (PubChem CID 55529422) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate
PubChem CID55529422
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate
SMILESCC(CC(=O)OCc1csc(-c2ccco2)n1)NC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O4S/c1-13(20-18(23)14-6-3-2-4-7-14)10-17(22)25-11-15-12-26-19(21-15)16-8-5-9-24-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)
InChIKeyUZNZKFHCUWMXMJ-UHFFFAOYSA-N
XLogP3.65
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate 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-(furan-2-yl)-1,3-thiazol-4-yl]methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 32738915
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 42938587
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38636231
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 32762869
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81064620
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
CID 166192657
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide
CID 51886493
1-benzothiophen-3-ylmethyl 3-benzamidobutanoate
CID 55885353
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 32743449
2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 46635996

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate (CID 55529422) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate is CC(CC(=O)OCc1csc(-c2ccco2)n1)NC(=O)c1ccccc1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate?
The InChIKey is UZNZKFHCUWMXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-13(20-18(23)14-6-3-2-4-7-14)10-17(22)25-11-15-12-26-19(21-15)16-8-5-9-24-16/h2-9,12-13H,10-11H2,1H3,(H,20,23).
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate has a molecular weight of 370.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate is sourced from PubChem (CID 55529422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).