2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine

C15H14N2S2 — CID 55017038

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine
SMILESNCC(Sc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H14N2S2/c16-10-14(11-6-2-1-3-7-11)19-15-17-12-8-4-5-9-13(12)18-15/h1-9,14H,10,16H2
InChIKeyUDXVAABCLQUDCM-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.09
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine

2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine (PubChem CID 55017038) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine
PubChem CID55017038
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine
SMILESNCC(Sc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H14N2S2/c16-10-14(11-6-2-1-3-7-11)19-15-17-12-8-4-5-9-13(12)18-15/h1-9,14H,10,16H2
InChIKeyUDXVAABCLQUDCM-UHFFFAOYSA-N
XLogP4.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-ylsulfanyl)pentan-1-amine
CID 43530092
2-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl]butanedioic acid
CID 18966887
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 43530095
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)butanedioic acid
CID 29417264
2-(1,3-benzothiazol-2-ylsulfanyl)butanediamide
CID 70410957
2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 62578110
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine
CID 55017219
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
2-(1,3-benzothiazol-2-ylsulfanyl)pentanedioic acid
CID 19427533
S-(1,3-benzothiazol-2-yl) 2-aminoethanethioate
CID 141289258
2-[(2S)-but-3-yn-2-yl]sulfanyl-1,3-benzothiazole
CID 94044815

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine (CID 55017038) is 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine is NCC(Sc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine?
The InChIKey is UDXVAABCLQUDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c16-10-14(11-6-2-1-3-7-11)19-15-17-12-8-4-5-9-13(12)18-15/h1-9,14H,10,16H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine?
2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine has a molecular weight of 286.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine is sourced from PubChem (CID 55017038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).