methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate

C10H10N2OS — CID 45077051

IUPACmethyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate
SMILESCO/C=N/c1ccc2sc(C)nc2c1
InChIInChI=1S/C10H10N2OS/c1-7-12-9-5-8(11-6-13-2)3-4-10(9)14-7/h3-6H,1-2H3/b11-6+
InChIKeyCUSAGVXVMMUVRW-IZZDOVSWSA-N
MW206.27 g/mol
LogP2.91
Rot. Bonds2

About methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate

methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate (PubChem CID 45077051) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate.

Molecular Properties

Compound Namemethyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate
PubChem CID45077051
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Namemethyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate
SMILESCO/C=N/c1ccc2sc(C)nc2c1
InChIInChI=1S/C10H10N2OS/c1-7-12-9-5-8(11-6-13-2)3-4-10(9)14-7/h3-6H,1-2H3/b11-6+
InChIKeyCUSAGVXVMMUVRW-IZZDOVSWSA-N
XLogP2.91
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate?
The IUPAC name of methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate (CID 45077051) is methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate.
What is the SMILES notation for methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate?
The canonical SMILES for methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate is CO/C=N/c1ccc2sc(C)nc2c1.
What is the InChIKey of methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate?
The InChIKey is CUSAGVXVMMUVRW-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-12-9-5-8(11-6-13-2)3-4-10(9)14-7/h3-6H,1-2H3/b11-6+.
What are the key properties of methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate?
methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate has a molecular weight of 206.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate is sourced from PubChem (CID 45077051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).