6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole

C17H17NO3S — CID 50849900

IUPAC6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
SMILESCOc1cc(-c2nc3ccc(C)cc3s2)cc(OC)c1OC
InChIInChI=1S/C17H17NO3S/c1-10-5-6-12-15(7-10)22-17(18-12)11-8-13(19-2)16(21-4)14(9-11)20-3/h5-9H,1-4H3
InChIKeyMORVUWJEEGBLBG-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.30
Rot. Bonds4

About 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole

6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole (PubChem CID 50849900) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
PubChem CID50849900
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
SMILESCOc1cc(-c2nc3ccc(C)cc3s2)cc(OC)c1OC
InChIInChI=1S/C17H17NO3S/c1-10-5-6-12-15(7-10)22-17(18-12)11-8-13(19-2)16(21-4)14(9-11)20-3/h5-9H,1-4H3
InChIKeyMORVUWJEEGBLBG-UHFFFAOYSA-N
XLogP4.30
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)phenyl]acetamide
CID 57075769
6-methyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 162679686
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
4,5-dimethoxy-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]isoindole-1,3-dione
CID 1301908
2-[4-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-methyl-1,3-benzothiazole
CID 58342050
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 3797487
3,4-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 2821932
1-(4-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 3635740

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole?
The IUPAC name of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole (CID 50849900) is 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole?
The canonical SMILES for 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole is COc1cc(-c2nc3ccc(C)cc3s2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole?
The InChIKey is MORVUWJEEGBLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-10-5-6-12-15(7-10)22-17(18-12)11-8-13(19-2)16(21-4)14(9-11)20-3/h5-9H,1-4H3.
What are the key properties of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole?
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole has a molecular weight of 315.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole is sourced from PubChem (CID 50849900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).