3-methyl-N-phenyl-1,3-benzothiazol-2-imine

C14H12N2S — CID 838370

IUPAC3-methyl-N-phenyl-1,3-benzothiazol-2-imine
SMILESCn1/c(=N/c2ccccc2)sc2ccccc21
InChIInChI=1S/C14H12N2S/c1-16-12-9-5-6-10-13(12)17-14(16)15-11-7-3-2-4-8-11/h2-10H,1H3/b15-14-
InChIKeyVBSAAKLJRDUJHZ-PFONDFGASA-N
MW240.33 g/mol
LogP3.47
Rot. Bonds1

About 3-methyl-N-phenyl-1,3-benzothiazol-2-imine

3-methyl-N-phenyl-1,3-benzothiazol-2-imine (PubChem CID 838370) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-methyl-N-phenyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name3-methyl-N-phenyl-1,3-benzothiazol-2-imine
PubChem CID838370
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name3-methyl-N-phenyl-1,3-benzothiazol-2-imine
SMILESCn1/c(=N/c2ccccc2)sc2ccccc21
InChIInChI=1S/C14H12N2S/c1-16-12-9-5-6-10-13(12)17-14(16)15-11-7-3-2-4-8-11/h2-10H,1H3/b15-14-
InChIKeyVBSAAKLJRDUJHZ-PFONDFGASA-N
XLogP3.47
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-1,3-benzothiazol-2-imine?
The IUPAC name of 3-methyl-N-phenyl-1,3-benzothiazol-2-imine (CID 838370) is 3-methyl-N-phenyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for 3-methyl-N-phenyl-1,3-benzothiazol-2-imine?
The canonical SMILES for 3-methyl-N-phenyl-1,3-benzothiazol-2-imine is Cn1/c(=N/c2ccccc2)sc2ccccc21.
What is the InChIKey of 3-methyl-N-phenyl-1,3-benzothiazol-2-imine?
The InChIKey is VBSAAKLJRDUJHZ-PFONDFGASA-N. The full InChI is InChI=1S/C14H12N2S/c1-16-12-9-5-6-10-13(12)17-14(16)15-11-7-3-2-4-8-11/h2-10H,1H3/b15-14-.
What are the key properties of 3-methyl-N-phenyl-1,3-benzothiazol-2-imine?
3-methyl-N-phenyl-1,3-benzothiazol-2-imine has a molecular weight of 240.33 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 838370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).