4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one

C12H12N2O3S — CID 114181313

IUPAC4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2COc3cc(O)ccc32)cs1
InChIInChI=1S/C12H12N2O3S/c15-8-1-2-9-10(5-17-11(9)3-8)13-4-7-6-18-12(16)14-7/h1-3,6,10,13,15H,4-5H2,(H,14,16)
InChIKeyNBSYNHVRXIUEDA-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.37
Rot. Bonds3

About 4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181313) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181313
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2COc3cc(O)ccc32)cs1
InChIInChI=1S/C12H12N2O3S/c15-8-1-2-9-10(5-17-11(9)3-8)13-4-7-6-18-12(16)14-7/h1-3,6,10,13,15H,4-5H2,(H,14,16)
InChIKeyNBSYNHVRXIUEDA-UHFFFAOYSA-N
XLogP1.37
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 114181313) is 4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2COc3cc(O)ccc32)cs1.
What is the InChIKey of 4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NBSYNHVRXIUEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-8-1-2-9-10(5-17-11(9)3-8)13-4-7-6-18-12(16)14-7/h1-3,6,10,13,15H,4-5H2,(H,14,16).
What are the key properties of 4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 264.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).