2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one

C14H13NO2S — CID 82301119

IUPAC2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
SMILESCOc1cccc(-c2nc3c(s2)CC(=O)CC3)c1
InChIInChI=1S/C14H13NO2S/c1-17-11-4-2-3-9(7-11)14-15-12-6-5-10(16)8-13(12)18-14/h2-4,7H,5-6,8H2,1H3
InChIKeyKYKRZDMOXFLMGU-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.88
Rot. Bonds2

About 2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one

2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one (PubChem CID 82301119) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
PubChem CID82301119
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
SMILESCOc1cccc(-c2nc3c(s2)CC(=O)CC3)c1
InChIInChI=1S/C14H13NO2S/c1-17-11-4-2-3-9(7-11)14-15-12-6-5-10(16)8-13(12)18-14/h2-4,7H,5-6,8H2,1H3
InChIKeyKYKRZDMOXFLMGU-UHFFFAOYSA-N
XLogP2.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one
CID 82288857
5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060433
5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060436
5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one
CID 22378610
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976505
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 55032419
[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
CID 92628891
2-(3-methoxyphenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033117
N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060372
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585
N-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033115
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033124

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The IUPAC name of 2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one (CID 82301119) is 2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The canonical SMILES for 2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one is COc1cccc(-c2nc3c(s2)CC(=O)CC3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The InChIKey is KYKRZDMOXFLMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-17-11-4-2-3-9(7-11)14-15-12-6-5-10(16)8-13(12)18-14/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one?
2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one has a molecular weight of 259.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one is sourced from PubChem (CID 82301119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).