(5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine

C15H14N2S — CID 43305034

IUPAC(5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine
SMILESCc1ccc2sc(C(N)c3ccccc3)nc2c1
InChIInChI=1S/C15H14N2S/c1-10-7-8-13-12(9-10)17-15(18-13)14(16)11-5-3-2-4-6-11/h2-9,14H,16H2,1H3
InChIKeyOMSJIFRSTQJVIK-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.65
Rot. Bonds2

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

(5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine (PubChem CID 43305034) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is (5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine
PubChem CID43305034
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name(5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine
SMILESCc1ccc2sc(C(N)c3ccccc3)nc2c1
InChIInChI=1S/C15H14N2S/c1-10-7-8-13-12(9-10)17-15(18-13)14(16)11-5-3-2-4-6-11/h2-9,14H,16H2,1H3
InChIKeyOMSJIFRSTQJVIK-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 81079007
(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
CID 79510887
2-[chloro(phenyl)methyl]-6-methyl-1,3-benzothiazole
CID 79142998
5-methyl-2-[(1-methylpiperidin-4-yl)oxy-phenylmethyl]-1,3-benzothiazole
CID 56949199
4-[2-amino-2-(5-methyl-1,3-benzothiazol-2-yl)ethyl]benzene-1,2-diol
CID 61071724
5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole
CID 8831196
ethyl 2-(5-methyl-1,3-benzothiazol-2-yl)pentanoate
CID 79475451
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
(5-methyl-1,3-benzothiazol-2-yl)sulfanium
CID 23515219
5-methyl-2-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-benzothiazole
CID 170682224
(2S)-2-amino-3-(5-methyl-1,3-benzothiazol-2-yl)propanoic acid
CID 57034889

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine?
The IUPAC name of (5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine (CID 43305034) is (5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine.
What is the SMILES notation for (5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine?
The canonical SMILES for (5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine is Cc1ccc2sc(C(N)c3ccccc3)nc2c1.
What is the InChIKey of (5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine?
The InChIKey is OMSJIFRSTQJVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-10-7-8-13-12(9-10)17-15(18-13)14(16)11-5-3-2-4-6-11/h2-9,14H,16H2,1H3.
What are the key properties of (5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine?
(5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine has a molecular weight of 254.36 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine is sourced from PubChem (CID 43305034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).