N-benzyl-4-methyl-1,3-benzothiazol-2-amine

C15H14N2S — CID 2375889

IUPACN-benzyl-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCc3ccccc3)nc12
InChIInChI=1S/C15H14N2S/c1-11-6-5-9-13-14(11)17-15(18-13)16-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyPYSYVADBDWLFGZ-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.22
Rot. Bonds3

About N-benzyl-4-methyl-1,3-benzothiazol-2-amine

N-benzyl-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 2375889) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-benzyl-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methyl-1,3-benzothiazol-2-amine
PubChem CID2375889
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-benzyl-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCc3ccccc3)nc12
InChIInChI=1S/C15H14N2S/c1-11-6-5-9-13-14(11)17-15(18-13)16-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyPYSYVADBDWLFGZ-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-benzyl-4-methyl-1,3-benzothiazol-2-amine (CID 2375889) is N-benzyl-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-benzyl-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-benzyl-4-methyl-1,3-benzothiazol-2-amine is Cc1cccc2sc(NCc3ccccc3)nc12.
What is the InChIKey of N-benzyl-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is PYSYVADBDWLFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-6-5-9-13-14(11)17-15(18-13)16-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-benzyl-4-methyl-1,3-benzothiazol-2-amine?
N-benzyl-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 254.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2375889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).