methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate

C14H14N2O4S — CID 171829599

IUPACmethyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(OCc2ccc3c(c2)CCO3)nsc1N
InChIInChI=1S/C14H14N2O4S/c1-18-14(17)11-12(15)21-16-13(11)20-7-8-2-3-10-9(6-8)4-5-19-10/h2-3,6H,4-5,7,15H2,1H3
InChIKeyHEVGBFZAYRHTTJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.03
Rot. Bonds4

About methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate

methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate (PubChem CID 171829599) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate
PubChem CID171829599
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(OCc2ccc3c(c2)CCO3)nsc1N
InChIInChI=1S/C14H14N2O4S/c1-18-14(17)11-12(15)21-16-13(11)20-7-8-2-3-10-9(6-8)4-5-19-10/h2-3,6H,4-5,7,15H2,1H3
InChIKeyHEVGBFZAYRHTTJ-UHFFFAOYSA-N
XLogP2.03
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-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

methyl 5-amino-3-[[4-fluoro-3-(methylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate
CID 171829947
2,3-dihydro-1-benzofuran-5-ylmethyl pyrimidine-4-carboxylate
CID 142851228
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421
methyl 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzoate
CID 9127129
methyl 4-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzoate
CID 51075520
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
CID 83210158
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate
CID 65445543

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate (CID 171829599) is methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate is COC(=O)c1c(OCc2ccc3c(c2)CCO3)nsc1N.
What is the InChIKey of methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate?
The InChIKey is HEVGBFZAYRHTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-18-14(17)11-12(15)21-16-13(11)20-7-8-2-3-10-9(6-8)4-5-19-10/h2-3,6H,4-5,7,15H2,1H3.
What are the key properties of methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate?
methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 171829599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).