[4-(1,3-benzothiazol-4-yl)phenyl]methanamine

C14H12N2S — CID 174795026

IUPAC[4-(1,3-benzothiazol-4-yl)phenyl]methanamine
SMILESNCc1ccc(-c2cccc3scnc23)cc1
InChIInChI=1S/C14H12N2S/c15-8-10-4-6-11(7-5-10)12-2-1-3-13-14(12)16-9-17-13/h1-7,9H,8,15H2
InChIKeyZUAUEGVMNTVRGL-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.42
Rot. Bonds2

About [4-(1,3-benzothiazol-4-yl)phenyl]methanamine

[4-(1,3-benzothiazol-4-yl)phenyl]methanamine (PubChem CID 174795026) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-4-yl)phenyl]methanamine
PubChem CID174795026
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name[4-(1,3-benzothiazol-4-yl)phenyl]methanamine
SMILESNCc1ccc(-c2cccc3scnc23)cc1
InChIInChI=1S/C14H12N2S/c15-8-10-4-6-11(7-5-10)12-2-1-3-13-14(12)16-9-17-13/h1-7,9H,8,15H2
InChIKeyZUAUEGVMNTVRGL-UHFFFAOYSA-N
XLogP3.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-4-yl)phenyl]methanamine?
The IUPAC name of [4-(1,3-benzothiazol-4-yl)phenyl]methanamine (CID 174795026) is [4-(1,3-benzothiazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1,3-benzothiazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(1,3-benzothiazol-4-yl)phenyl]methanamine is NCc1ccc(-c2cccc3scnc23)cc1.
What is the InChIKey of [4-(1,3-benzothiazol-4-yl)phenyl]methanamine?
The InChIKey is ZUAUEGVMNTVRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-8-10-4-6-11(7-5-10)12-2-1-3-13-14(12)16-9-17-13/h1-7,9H,8,15H2.
What are the key properties of [4-(1,3-benzothiazol-4-yl)phenyl]methanamine?
[4-(1,3-benzothiazol-4-yl)phenyl]methanamine has a molecular weight of 240.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 174795026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).