(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine

C15H16N2S2 — CID 81398235

IUPAC(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(N[C@@H](C)c1cccs1)c1nc2ccccc2s1
InChIInChI=1S/C15H16N2S2/c1-10(13-8-5-9-18-13)16-11(2)15-17-12-6-3-4-7-14(12)19-15/h3-11,16H,1-2H3/t10-,11?/m0/s1
InChIKeyVGYVUCBRYNCMHU-VUWPPUDQSA-N
MW288.44 g/mol
LogP4.77
Rot. Bonds4

About (1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine

(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 81398235) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is (1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID81398235
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(N[C@@H](C)c1cccs1)c1nc2ccccc2s1
InChIInChI=1S/C15H16N2S2/c1-10(13-8-5-9-18-13)16-11(2)15-17-12-6-3-4-7-14(12)19-15/h3-11,16H,1-2H3/t10-,11?/m0/s1
InChIKeyVGYVUCBRYNCMHU-VUWPPUDQSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405707
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43181009
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405873
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62841659
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721848
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81374029
N-[1-(1,3-benzothiazol-2-yl)ethyl]but-3-yn-2-amine
CID 114414954
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43177919
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpent-1-yn-3-amine
CID 114202107
2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
CID 43545365
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734
2-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477091

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine (CID 81398235) is (1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine is CC(N[C@@H](C)c1cccs1)c1nc2ccccc2s1.
What is the InChIKey of (1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is VGYVUCBRYNCMHU-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-10(13-8-5-9-18-13)16-11(2)15-17-12-6-3-4-7-14(12)19-15/h3-11,16H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine?
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 288.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).