(3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

C18H15NO5S — CID 31583711

IUPAC(3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)c1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H15NO5S/c1-11-3-5-12(6-4-11)16-19-14(10-25-16)18(21)24-9-15-13(7-8-23-15)17(20)22-2/h3-8,10H,9H2,1-2H3
InChIKeyVITVKABRYZLEOQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.86
Rot. Bonds5

About (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

(3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 31583711) has the molecular formula C18H15NO5S and a molecular weight of 357.39 g/mol. Its IUPAC name is (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID31583711
Molecular FormulaC18H15NO5S
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC Name(3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)c1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H15NO5S/c1-11-3-5-12(6-4-11)16-19-14(10-25-16)18(21)24-9-15-13(7-8-23-15)17(20)22-2/h3-8,10H,9H2,1-2H3
InChIKeyVITVKABRYZLEOQ-UHFFFAOYSA-N
XLogP3.86
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-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

(3-methoxycarbonylfuran-2-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 31114589
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736656
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
(5-cyano-2-fluorophenyl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 37161591
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736530
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135009
methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate
CID 55517459
(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135775
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 51091336

Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate (CID 31583711) is (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1ccoc1COC(=O)c1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is VITVKABRYZLEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S/c1-11-3-5-12(6-4-11)16-19-14(10-25-16)18(21)24-9-15-13(7-8-23-15)17(20)22-2/h3-8,10H,9H2,1-2H3.
What are the key properties of (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
(3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 357.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonylfuran-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 31583711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).