N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine

C15H11N3S2 — CID 71219201

IUPACN-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine
SMILESCn1c(=Nc2nc3ccccc3s2)sc2ccccc21
InChIInChI=1S/C15H11N3S2/c1-18-11-7-3-5-9-13(11)20-15(18)17-14-16-10-6-2-4-8-12(10)19-14/h2-9H,1H3
InChIKeyDTZPWJKEPNIZEO-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.08
Rot. Bonds1

About N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine

N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine (PubChem CID 71219201) has the molecular formula C15H11N3S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine
PubChem CID71219201
Molecular FormulaC15H11N3S2
Molecular Weight297.41 g/mol
Exact Mass297.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine
SMILESCn1c(=Nc2nc3ccccc3s2)sc2ccccc21
InChIInChI=1S/C15H11N3S2/c1-18-11-7-3-5-9-13(11)20-15(18)17-14-16-10-6-2-4-8-12(10)19-14/h2-9H,1H3
InChIKeyDTZPWJKEPNIZEO-UHFFFAOYSA-N
XLogP4.08
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Accelerator DM
CID 8447
Dithiazanine Iodide
CID 5702697
Benzo(d)thiazol-2-amine
CID 8706
Methabenzthiazuron
CID 29216
3,3'-Diethylthiacarbocyanine iodide
CID 5709759
Zinc mercaptobenzothiazole
CID 9071
2-Benzothiazolyl diethyldithiocarbamate
CID 7229
3,3'-Diethylthiatricarbocyanine iodide
CID 5702699
Benzthiazuron
CID 16007
3,3'-Diethyl-9-methylthiacarbocyanine iodide
CID 6364517
Dithiazanine
CID 5473758
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine (CID 71219201) is N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine is Cn1c(=Nc2nc3ccccc3s2)sc2ccccc21.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine?
The InChIKey is DTZPWJKEPNIZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S2/c1-18-11-7-3-5-9-13(11)20-15(18)17-14-16-10-6-2-4-8-12(10)19-14/h2-9H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine?
N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine has a molecular weight of 297.41 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 71219201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).