2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol

C17H18N2O2S — CID 14700312

IUPAC2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol
SMILESCOc1ccc(Nc2nc3c(C)c(C)c(O)c(C)c3s2)cc1
InChIInChI=1S/C17H18N2O2S/c1-9-10(2)15(20)11(3)16-14(9)19-17(22-16)18-12-5-7-13(21-4)8-6-12/h5-8,20H,1-4H3,(H,18,19)
InChIKeyUWYBFWJGSZUMDT-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.68
Rot. Bonds3

About 2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol

2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol (PubChem CID 14700312) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol
PubChem CID14700312
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol
SMILESCOc1ccc(Nc2nc3c(C)c(C)c(O)c(C)c3s2)cc1
InChIInChI=1S/C17H18N2O2S/c1-9-10(2)15(20)11(3)16-14(9)19-17(22-16)18-12-5-7-13(21-4)8-6-12/h5-8,20H,1-4H3,(H,18,19)
InChIKeyUWYBFWJGSZUMDT-UHFFFAOYSA-N
XLogP4.68
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 14700316
[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
CID 58260849
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 82065160
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 14700264
N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 677721
(E)-1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 14003546
2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 10851198
ethyl 3-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropanoate
CID 14700276
2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol
CID 135585492
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol
CID 139972664
4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 23882311

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol (CID 14700312) is 2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol is COc1ccc(Nc2nc3c(C)c(C)c(O)c(C)c3s2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol?
The InChIKey is UWYBFWJGSZUMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-9-10(2)15(20)11(3)16-14(9)19-17(22-16)18-12-5-7-13(21-4)8-6-12/h5-8,20H,1-4H3,(H,18,19).
What are the key properties of 2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol?
2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol has a molecular weight of 314.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol is sourced from PubChem (CID 14700312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).