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

C15H14N2S — CID 43305034

IUPAC(5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine
SMILESCC1=CC2=C(C=C1)SC(=N2)C(C3=CC=CC=C3)N
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
MW254.40 g/mol
LogP3.30
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 254.40 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 Weight254.40 g/mol
Exact Mass254.09
IUPAC Name(5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine
SMILESCC1=CC2=C(C=C1)SC(=N2)C(C3=CC=CC=C3)N
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
XLogP3.30
TPSA67.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity278

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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 CC1=CC2=C(C=C1)SC(=N2)C(C3=CC=CC=C3)N.
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 254.40 g/mol, XLogP of 3.30, 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).