[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol

C15H15NO3S — CID 178077313

IUPAC[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol
SMILESCc1ncc(COc2ccc3oc(C)c(CO)c3c2)s1
InChIInChI=1S/C15H15NO3S/c1-9-14(7-17)13-5-11(3-4-15(13)19-9)18-8-12-6-16-10(2)20-12/h3-6,17H,7-8H2,1-2H3
InChIKeyFQLIIXBRNXDIQM-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.58
Rot. Bonds4

About [2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol

[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol (PubChem CID 178077313) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is [2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol
PubChem CID178077313
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol
SMILESCc1ncc(COc2ccc3oc(C)c(CO)c3c2)s1
InChIInChI=1S/C15H15NO3S/c1-9-14(7-17)13-5-11(3-4-15(13)19-9)18-8-12-6-16-10(2)20-12/h3-6,17H,7-8H2,1-2H3
InChIKeyFQLIIXBRNXDIQM-UHFFFAOYSA-N
XLogP3.58
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380475
N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480264
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 63020479
3-(2-aminophenyl)-3-methyl-2-(methylamino)butan-1-ol;2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carbaldehyde
CID 163379991
N-[1-amino-1-oxo-3-(1,2,4-triazol-1-yl)propan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380550
(1R)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanol
CID 63364307
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019403
1-O-tert-butyl 3-O-methyl 3-[[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1,3-dicarboxylate
CID 163379949
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163380571
tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane
CID 90075590
N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63020641
[3-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanol
CID 63021172

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol?
The IUPAC name of [2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol (CID 178077313) is [2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol.
What is the SMILES notation for [2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol?
The canonical SMILES for [2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol is Cc1ncc(COc2ccc3oc(C)c(CO)c3c2)s1.
What is the InChIKey of [2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol?
The InChIKey is FQLIIXBRNXDIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-9-14(7-17)13-5-11(3-4-15(13)19-9)18-8-12-6-16-10(2)20-12/h3-6,17H,7-8H2,1-2H3.
What are the key properties of [2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol?
[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol has a molecular weight of 289.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol is sourced from PubChem (CID 178077313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).