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

C15H14N2S2 — CID 60667157

IUPACN-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine
SMILESc1ccc(SCCNc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N2S2/c1-2-6-12(7-3-1)18-11-10-16-15-17-13-8-4-5-9-14(13)19-15/h1-9H,10-11H2,(H,16,17)
InChIKeyKIOMIRNDDKMCNU-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.50
Rot. Bonds5

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

N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine (PubChem CID 60667157) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine
PubChem CID60667157
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC NameN-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine
SMILESc1ccc(SCCNc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N2S2/c1-2-6-12(7-3-1)18-11-10-16-15-17-13-8-4-5-9-14(13)19-15/h1-9H,10-11H2,(H,16,17)
InChIKeyKIOMIRNDDKMCNU-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine 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-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896
3-(1,3-benzothiazol-2-ylamino)propane-1-thiol
CID 101455251
N'-(1,3-benzothiazol-2-yl)-N-pyrimidin-2-ylpropane-1,3-diamine
CID 47370704
N'-(1,3-benzothiazol-2-yl)-N-pyridin-2-ylethane-1,2-diamine
CID 37105021
N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 47446323
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958
N-(2-phenylsulfanylethyl)-2,1-benzothiazol-3-amine
CID 63373114
2-(1,3-benzothiazol-2-ylamino)ethyl prop-2-enoate
CID 129146688
2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid
CID 87530986

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine (CID 60667157) is N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine is c1ccc(SCCNc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is KIOMIRNDDKMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-2-6-12(7-3-1)18-11-10-16-15-17-13-8-4-5-9-14(13)19-15/h1-9H,10-11H2,(H,16,17).
What are the key properties of N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine?
N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 286.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 60667157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).