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

C13H10N2O3S — CID 103199790

IUPACmethyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cc3ccccc3o2)sc1N
InChIInChI=1S/C13H10N2O3S/c1-17-13(16)10-11(14)19-12(15-10)9-6-7-4-2-3-5-8(7)18-9/h2-6H,14H2,1H3
InChIKeySBFLJCAOHPEOEE-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.93
Rot. Bonds2

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

methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 103199790) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID103199790
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Namemethyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cc3ccccc3o2)sc1N
InChIInChI=1S/C13H10N2O3S/c1-17-13(16)10-11(14)19-12(15-10)9-6-7-4-2-3-5-8(7)18-9/h2-6H,14H2,1H3
InChIKeySBFLJCAOHPEOEE-UHFFFAOYSA-N
XLogP2.93
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-acetyl-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106696043
methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 80572975
methyl 3-amino-5-(1-benzofuran-2-yl)-4-ethylthiophene-2-carboxylate
CID 63398664
methyl 5-amino-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199710
methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199632
methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate
CID 22677410
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
methyl 5-amino-2-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199671
methyl 5-amino-2-(2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199725
methyl 5-amino-2-(4-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199703
methyl 5-amino-2-(3-fluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199640
methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
CID 71059270

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate (CID 103199790) is methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2cc3ccccc3o2)sc1N.
What is the InChIKey of methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is SBFLJCAOHPEOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-17-13(16)10-11(14)19-12(15-10)9-6-7-4-2-3-5-8(7)18-9/h2-6H,14H2,1H3.
What are the key properties of methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103199790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).