6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol

C17H14FNO3S — CID 139641694

IUPAC6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol
SMILESOC1COc2ccc(OCc3nc4cc(F)ccc4s3)cc2C1
InChIInChI=1S/C17H14FNO3S/c18-11-1-4-16-14(7-11)19-17(23-16)9-21-13-2-3-15-10(6-13)5-12(20)8-22-15/h1-4,6-7,12,20H,5,8-9H2
InChIKeyNFOHYDAMDJABBV-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.31
Rot. Bonds3

About 6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol

6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol (PubChem CID 139641694) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is 6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol
PubChem CID139641694
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol
SMILESOC1COc2ccc(OCc3nc4cc(F)ccc4s3)cc2C1
InChIInChI=1S/C17H14FNO3S/c18-11-1-4-16-14(7-11)19-17(23-16)9-21-13-2-3-15-10(6-13)5-12(20)8-22-15/h1-4,6-7,12,20H,5,8-9H2
InChIKeyNFOHYDAMDJABBV-UHFFFAOYSA-N
XLogP3.31
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3R,4R)-6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methoxybenzoic acid
CID 67592270
3-[[(3R,4R)-6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methoxy]-N-methylsulfonylbenzamide
CID 67704719
N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide
CID 18932318
N-(benzenesulfonyl)-3-[[7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide
CID 67704718
2-[3-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]anilino]acetaldehyde
CID 173352136
4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
CID 43306339
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 167986981
3-[(6-fluoro-1,3-benzothiazol-2-yl)methoxy]aniline
CID 79148962
4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-4,5-dihydro-2H-pyridin-3-one
CID 57128679
5-(1,3-benzothiazol-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 104986102
2-[[4-[amino-[3-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]methyl]phenyl]methyl]benzene-1,3-dicarboxylic acid
CID 174360317
3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 43305639

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol (CID 139641694) is 6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol is OC1COc2ccc(OCc3nc4cc(F)ccc4s3)cc2C1.
What is the InChIKey of 6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is NFOHYDAMDJABBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c18-11-1-4-16-14(7-11)19-17(23-16)9-21-13-2-3-15-10(6-13)5-12(20)8-22-15/h1-4,6-7,12,20H,5,8-9H2.
What are the key properties of 6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol?
6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 331.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 139641694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).