2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one

C20H18N2O3S — CID 135401404

IUPAC2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESCOc1ccc2c(c1)sc1nc(O)c(-c3c(C)cc(C)cc3C)c(=O)n12
InChIInChI=1S/C20H18N2O3S/c1-10-7-11(2)16(12(3)8-10)17-18(23)21-20-22(19(17)24)14-6-5-13(25-4)9-15(14)26-20/h5-9,23H,1-4H3
InChIKeyLQIIUHVWGGKSNK-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.22
Rot. Bonds2

About 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one

2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one (PubChem CID 135401404) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one.

Molecular Properties

Compound Name2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
PubChem CID135401404
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESCOc1ccc2c(c1)sc1nc(O)c(-c3c(C)cc(C)cc3C)c(=O)n12
InChIInChI=1S/C20H18N2O3S/c1-10-7-11(2)16(12(3)8-10)17-18(23)21-20-22(19(17)24)14-6-5-13(25-4)9-15(14)26-20/h5-9,23H,1-4H3
InChIKeyLQIIUHVWGGKSNK-UHFFFAOYSA-N
XLogP4.22
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-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

3-butyl-2-hydroxy-8-methoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135490257
3-Benzyl-2-hydroxy-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one
CID 145974730
N-(4-ethylbenzyl)-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 16011289
(2Z)-2-benzylidene-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-one
CID 168287842
8-Methoxy-3-(phenylmethyl)pyrimido[2,1-b][1,3]benzothiazole-2,4-dione
CID 2928239
8-methoxy-N-(3-methylbenzyl)-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 16011283
(2E)-2-(8-methoxy-2-naphthalen-2-ylpyrimido[2,1-b][1,3]benzothiazol-4-ylidene)acetonitrile
CID 71459783
3-Benzyl-2-chloro-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one
CID 145966452
(E)-N-(4-methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(naphthalen-1-yl)acetamide
CID 3343997
2-((2,5-Dimethylbenzyl)sulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one
CID 1601286
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 3533867
(E)-N-(4-ethoxy-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-3,4-dimethylbenzamide
CID 4088393

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The IUPAC name of 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one (CID 135401404) is 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one.
What is the SMILES notation for 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The canonical SMILES for 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one is COc1ccc2c(c1)sc1nc(O)c(-c3c(C)cc(C)cc3C)c(=O)n12.
What is the InChIKey of 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The InChIKey is LQIIUHVWGGKSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-10-7-11(2)16(12(3)8-10)17-18(23)21-20-22(19(17)24)14-6-5-13(25-4)9-15(14)26-20/h5-9,23H,1-4H3.
What are the key properties of 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one has a molecular weight of 366.44 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one is sourced from PubChem (CID 135401404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).