5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole

C20H22N2O2S2 — CID 160959310

IUPAC5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole
SMILESCOc1cc2nc(C)sc2cc1OC.Cc1cc(C)c2sc(C)nc2c1
InChIInChI=1S/C10H11NO2S.C10H11NS/c1-6-11-7-4-8(12-2)9(13-3)5-10(7)14-6;1-6-4-7(2)10-9(5-6)11-8(3)12-10/h4-5H,1-3H3;4-5H,1-3H3
InChIKeySWUPTUYMPXDHBL-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.84
Rot. Bonds2

About 5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole

5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole (PubChem CID 160959310) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole
PubChem CID160959310
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole
SMILESCOc1cc2nc(C)sc2cc1OC.Cc1cc(C)c2sc(C)nc2c1
InChIInChI=1S/C10H11NO2S.C10H11NS/c1-6-11-7-4-8(12-2)9(13-3)5-10(7)14-6;1-6-4-7(2)10-9(5-6)11-8(3)12-10/h4-5H,1-3H3;4-5H,1-3H3
InChIKeySWUPTUYMPXDHBL-UHFFFAOYSA-N
XLogP5.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethoxy-2-methyl-1,3-benzothiazole;hydrate
CID 51056765
6-bromo-5-methoxy-2-methyl-1,3-benzothiazole
CID 118134419
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 7192786
5,7-dimethyl-1,3-benzothiazol-2-amine
CID 2049896
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide
CID 7105680
2,6-dimethyl-1,3-benzothiazol-5-ol
CID 126677405
2,6-dimethyl-1,3-benzothiazol-5-amine
CID 46912036
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole
CID 67094273
2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]acetonitrile
CID 134194948
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
CID 134106377

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole?
The IUPAC name of 5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole (CID 160959310) is 5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole.
What is the SMILES notation for 5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole?
The canonical SMILES for 5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole is COc1cc2nc(C)sc2cc1OC.Cc1cc(C)c2sc(C)nc2c1.
What is the InChIKey of 5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole?
The InChIKey is SWUPTUYMPXDHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S.C10H11NS/c1-6-11-7-4-8(12-2)9(13-3)5-10(7)14-6;1-6-4-7(2)10-9(5-6)11-8(3)12-10/h4-5H,1-3H3;4-5H,1-3H3.
What are the key properties of 5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole?
5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole has a molecular weight of 386.54 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole is sourced from PubChem (CID 160959310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).