2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol

C15H13NO2S — CID 19092712

IUPAC2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol
SMILESOc1ccc2oc(-c3nc4c(s3)CCCC4)cc2c1
InChIInChI=1S/C15H13NO2S/c17-10-5-6-12-9(7-10)8-13(18-12)15-16-11-3-1-2-4-14(11)19-15/h5-8,17H,1-4H2
InChIKeyMPTPXOLRFZGVTJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.14
Rot. Bonds1

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

2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol (PubChem CID 19092712) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol
PubChem CID19092712
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol
SMILESOc1ccc2oc(-c3nc4c(s3)CCCC4)cc2c1
InChIInChI=1S/C15H13NO2S/c17-10-5-6-12-9(7-10)8-13(18-12)15-16-11-3-1-2-4-14(11)19-15/h5-8,17H,1-4H2
InChIKeyMPTPXOLRFZGVTJ-UHFFFAOYSA-N
XLogP4.14
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 19092740
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol
CID 19092776
2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 14531647
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl 2-benzo[e][1]benzofuran-2-ylacetate
CID 166357139
2-(2-bromophenyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazole
CID 79831949
2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 82081689
2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride
CID 82021800
2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 79831749
2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 63090614
methyl 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzoate
CID 80556455
2-iodo-N,N-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)aniline
CID 90864127
2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol
CID 25014934

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol (CID 19092712) is 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol is Oc1ccc2oc(-c3nc4c(s3)CCCC4)cc2c1.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol?
The InChIKey is MPTPXOLRFZGVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-10-5-6-12-9(7-10)8-13(18-12)15-16-11-3-1-2-4-14(11)19-15/h5-8,17H,1-4H2.
What are the key properties of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol?
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol has a molecular weight of 271.34 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-5-ol is sourced from PubChem (CID 19092712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).