[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate

C14H10N2O4S — CID 649275

IUPAC[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H10N2O4S/c17-12(8-20-13(18)10-5-3-7-19-10)16-14-15-9-4-1-2-6-11(9)21-14/h1-7H,8H2,(H,15,16,17)
InChIKeyBODZJVXYAGVYMB-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.68
Rot. Bonds4

About [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate

[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 649275) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate
PubChem CID649275
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H10N2O4S/c17-12(8-20-13(18)10-5-3-7-19-10)16-14-15-9-4-1-2-6-11(9)21-14/h1-7H,8H2,(H,15,16,17)
InChIKeyBODZJVXYAGVYMB-UHFFFAOYSA-N
XLogP2.68
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1,3-benzothiazol-2-ylamino)-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

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate (CID 649275) is [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)Nc1nc2ccccc2s1.
What is the InChIKey of [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is BODZJVXYAGVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c17-12(8-20-13(18)10-5-3-7-19-10)16-14-15-9-4-1-2-6-11(9)21-14/h1-7H,8H2,(H,15,16,17).
What are the key properties of [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate?
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 302.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 649275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).