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

C17H19NO2S — CID 62089905

IUPAC2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCOc1ccccc1Cc1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C17H19NO2S/c1-17(2)9-12-16(13(19)10-17)21-15(18-12)8-11-6-4-5-7-14(11)20-3/h4-7H,8-10H2,1-3H3
InChIKeyFDYXIUWZWQRPJK-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.90
Rot. Bonds3

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

2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 62089905) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID62089905
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCOc1ccccc1Cc1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C17H19NO2S/c1-17(2)9-12-16(13(19)10-17)21-15(18-12)8-11-6-4-5-7-14(11)20-3/h4-7H,8-10H2,1-3H3
InChIKeyFDYXIUWZWQRPJK-UHFFFAOYSA-N
XLogP3.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluorophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62090246
2-ethyl-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62090244
2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975723
[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098962
2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 115346933
3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
CID 55647137
5,5-dimethyl-2-thiophen-2-yl-4,6-dihydro-1,3-benzothiazol-7-one
CID 55032657
2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 587874
4-butyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227157
2-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82428416
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 62089905) is 2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is COc1ccccc1Cc1nc2c(s1)C(=O)CC(C)(C)C2.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is FDYXIUWZWQRPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-17(2)9-12-16(13(19)10-17)21-15(18-12)8-11-6-4-5-7-14(11)20-3/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 301.41 g/mol, XLogP of 3.90, 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]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 62089905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).