N,3-dimethyl-1,3-benzothiazol-2-imine

C9H10N2S — CID 12955118

IUPACN,3-dimethyl-1,3-benzothiazol-2-imine
SMILESC/N=c1\sc2ccccc2n1C
InChIInChI=1S/C9H10N2S/c1-10-9-11(2)7-5-3-4-6-8(7)12-9/h3-6H,1-2H3/b10-9-
InChIKeyURRKBKPDLWIJFD-KTKRTIGZSA-N
MW178.26 g/mol
LogP1.77
Rot. Bonds

About N,3-dimethyl-1,3-benzothiazol-2-imine

N,3-dimethyl-1,3-benzothiazol-2-imine (PubChem CID 12955118) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N,3-dimethyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound NameN,3-dimethyl-1,3-benzothiazol-2-imine
PubChem CID12955118
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC NameN,3-dimethyl-1,3-benzothiazol-2-imine
SMILESC/N=c1\sc2ccccc2n1C
InChIInChI=1S/C9H10N2S/c1-10-9-11(2)7-5-3-4-6-8(7)12-9/h3-6H,1-2H3/b10-9-
InChIKeyURRKBKPDLWIJFD-KTKRTIGZSA-N
XLogP1.77
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1,3-benzothiazol-2-imine?
The IUPAC name of N,3-dimethyl-1,3-benzothiazol-2-imine (CID 12955118) is N,3-dimethyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for N,3-dimethyl-1,3-benzothiazol-2-imine?
The canonical SMILES for N,3-dimethyl-1,3-benzothiazol-2-imine is C/N=c1\sc2ccccc2n1C.
What is the InChIKey of N,3-dimethyl-1,3-benzothiazol-2-imine?
The InChIKey is URRKBKPDLWIJFD-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H10N2S/c1-10-9-11(2)7-5-3-4-6-8(7)12-9/h3-6H,1-2H3/b10-9-.
What are the key properties of N,3-dimethyl-1,3-benzothiazol-2-imine?
N,3-dimethyl-1,3-benzothiazol-2-imine has a molecular weight of 178.26 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 12955118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).