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

C17H18N2S2 — CID 82548837

IUPAC6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCCSc1ccc2nc(NCCc3ccccc3)sc2c1
InChIInChI=1S/C17H18N2S2/c1-2-20-14-8-9-15-16(12-14)21-17(19-15)18-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,18,19)
InChIKeyOYBFMXWPMIICNR-UHFFFAOYSA-N
MW314.48 g/mol
LogP5.06
Rot. Bonds6

About 6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine

6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine (PubChem CID 82548837) has the molecular formula C17H18N2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
PubChem CID82548837
Molecular FormulaC17H18N2S2
Molecular Weight314.48 g/mol
Exact Mass314.09
IUPAC Name6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCCSc1ccc2nc(NCCc3ccccc3)sc2c1
InChIInChI=1S/C17H18N2S2/c1-2-20-14-8-9-15-16(12-14)21-17(19-15)18-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,18,19)
InChIKeyOYBFMXWPMIICNR-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethylsulfanyl-N-(2-phenylethyl)-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

6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548843
N-(2-phenylethyl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 82549328
N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
CID 82548504
6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
CID 82548714
6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79516074
5-methoxy-2-(2-phenylethylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82548344
6-phenoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549639
4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol
CID 63231374
N-(2-phenylsulfanylethyl)-1,3-benzothiazol-2-amine
CID 60667157
6-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 108771426
6-methyl-N-(3-phenylbutyl)-1,3-benzothiazol-2-amine
CID 79126739
(4S)-4-benzyl-2-[4-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl]anilino]-4H-1,3-thiazol-5-one
CID 59852381

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine (CID 82548837) is 6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine is CCSc1ccc2nc(NCCc3ccccc3)sc2c1.
What is the InChIKey of 6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is OYBFMXWPMIICNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S2/c1-2-20-14-8-9-15-16(12-14)21-17(19-15)18-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,18,19).
What are the key properties of 6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 314.48 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).