N-(2-phenylethyl)-1,3-benzothiazol-2-amine

C15H14N2S — CID 2404858

IUPACN-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESc1ccc(CCNc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H,16,17)
InChIKeyZONFDQCCZSBEFC-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.95
Rot. Bonds4

About N-(2-phenylethyl)-1,3-benzothiazol-2-amine

N-(2-phenylethyl)-1,3-benzothiazol-2-amine (PubChem CID 2404858) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-1,3-benzothiazol-2-amine
PubChem CID2404858
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESc1ccc(CCNc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H,16,17)
InChIKeyZONFDQCCZSBEFC-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-phenylethyl)-1,3-benzothiazol-2-amine (CID 2404858) is N-(2-phenylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-phenylethyl)-1,3-benzothiazol-2-amine is c1ccc(CCNc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is ZONFDQCCZSBEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H,16,17).
What are the key properties of N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
N-(2-phenylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 254.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2404858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).