2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C17H17NO2S — CID 63090614

IUPAC2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(-c3cc4ccccc4o3)sc2C(O)C1
InChIInChI=1S/C17H17NO2S/c1-17(2)8-11-15(12(19)9-17)21-16(18-11)14-7-10-5-3-4-6-13(10)20-14/h3-7,12,19H,8-9H2,1-2H3
InChIKeyYUBMNSTXFWSORH-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.56
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 63090614) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID63090614
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(-c3cc4ccccc4o3)sc2C(O)C1
InChIInChI=1S/C17H17NO2S/c1-17(2)8-11-15(12(19)9-17)21-16(18-11)14-7-10-5-3-4-6-13(10)20-14/h3-7,12,19H,8-9H2,1-2H3
InChIKeyYUBMNSTXFWSORH-UHFFFAOYSA-N
XLogP4.56
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol with MolForge

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Related Compounds

1-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol
CID 46942964
[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
CID 46943021
(E)-4-methyl-6-[2-[[2-methyl-4-(2-methyl-1-benzofuran-5-yl)-1,3-thiazol-5-yl]methyl]phenoxy]hex-4-enoic acid
CID 156014192
[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol
CID 46948046
1-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol
CID 49786450
[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 49786636
1-[4-(2-Benzofuranyl)-2-thiazolyl]-1-(3,4-difluorophenyl)ethanol
CID 49790046
[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol
CID 49790605
[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol
CID 49792226
1-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol
CID 49795434
1-[4-(2-Benzofuranyl)-2-thiazolyl]-1-phenylethanol
CID 49795593
2-(3-Methyl-1-benzofuran-2-yl)-1,3-benzothiazole
CID 8829250

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 63090614) is 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1(C)Cc2nc(-c3cc4ccccc4o3)sc2C(O)C1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is YUBMNSTXFWSORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-17(2)8-11-15(12(19)9-17)21-16(18-11)14-7-10-5-3-4-6-13(10)20-14/h3-7,12,19H,8-9H2,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 299.39 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 63090614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).