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

C15H15NO2S — CID 64975723

IUPAC2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCOc1ccccc1Cc1nc2c(s1)CCCC2=O
InChIInChI=1S/C15H15NO2S/c1-18-12-7-3-2-5-10(12)9-14-16-15-11(17)6-4-8-13(15)19-14/h2-3,5,7H,4,6,8-9H2,1H3
InChIKeyLNHCWNCRQGCHQE-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.26
Rot. Bonds3

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

2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64975723) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64975723
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCOc1ccccc1Cc1nc2c(s1)CCCC2=O
InChIInChI=1S/C15H15NO2S/c1-18-12-7-3-2-5-10(12)9-14-16-15-11(17)6-4-8-13(15)19-14/h2-3,5,7H,4,6,8-9H2,1H3
InChIKeyLNHCWNCRQGCHQE-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975201
2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62089905
2-[(4-bromophenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975112
2-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975750
[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098962
2-(4-methoxyphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975135
2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 82741413
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
(E)-3-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82428418
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976338
4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 157374946

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64975723) is 2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one is COc1ccccc1Cc1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is LNHCWNCRQGCHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-12-7-3-2-5-10(12)9-14-16-15-11(17)6-4-8-13(15)19-14/h2-3,5,7H,4,6,8-9H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 273.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64975723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).