2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole

C18H20N2S2 — CID 20695989

IUPAC2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole
SMILESCN1c2ccccc2SC1(C)C1(C)Sc2ccccc2N1C
InChIInChI=1S/C18H20N2S2/c1-17(19(3)13-9-5-7-11-15(13)21-17)18(2)20(4)14-10-6-8-12-16(14)22-18/h5-12H,1-4H3
InChIKeyHRNOYMZLDKDNRV-UHFFFAOYSA-N
MW328.51 g/mol
LogP4.90
Rot. Bonds1

About 2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole

2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole (PubChem CID 20695989) has the molecular formula C18H20N2S2 and a molecular weight of 328.51 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole
PubChem CID20695989
Molecular FormulaC18H20N2S2
Molecular Weight328.51 g/mol
Exact Mass328.11
IUPAC Name2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole
SMILESCN1c2ccccc2SC1(C)C1(C)Sc2ccccc2N1C
InChIInChI=1S/C18H20N2S2/c1-17(19(3)13-9-5-7-11-15(13)21-17)18(2)20(4)14-10-6-8-12-16(14)22-18/h5-12H,1-4H3
InChIKeyHRNOYMZLDKDNRV-UHFFFAOYSA-N
XLogP4.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole?
The IUPAC name of 2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole (CID 20695989) is 2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole?
The canonical SMILES for 2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole is CN1c2ccccc2SC1(C)C1(C)Sc2ccccc2N1C.
What is the InChIKey of 2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole?
The InChIKey is HRNOYMZLDKDNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S2/c1-17(19(3)13-9-5-7-11-15(13)21-17)18(2)20(4)14-10-6-8-12-16(14)22-18/h5-12H,1-4H3.
What are the key properties of 2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole?
2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole has a molecular weight of 328.51 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 20695989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).