2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole

C15H13NOS — CID 12939261

IUPAC2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C15H13NOS/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3
InChIKeyAWYKSNJSUDJLBZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.28
Rot. Bonds2

About 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole

2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole (PubChem CID 12939261) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
PubChem CID12939261
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C15H13NOS/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3
InChIKeyAWYKSNJSUDJLBZ-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 3635740
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 50849900
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
2-(4-methoxyphenyl)-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]acetamide
CID 5169288

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole (CID 12939261) is 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole is COc1ccc(-c2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole?
The InChIKey is AWYKSNJSUDJLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole?
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole has a molecular weight of 255.34 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 12939261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).