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

C15H16N2S2 — CID 62841659

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1nc2ccccc2s1)c1ccsc1
InChIInChI=1S/C15H16N2S2/c1-10(12-7-8-18-9-12)16-11(2)15-17-13-5-3-4-6-14(13)19-15/h3-11,16H,1-2H3
InChIKeyUTHVKCOYHFOUJG-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.77
Rot. Bonds4

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

N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 62841659) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID62841659
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1nc2ccccc2s1)c1ccsc1
InChIInChI=1S/C15H16N2S2/c1-10(12-7-8-18-9-12)16-11(2)15-17-13-5-3-4-6-14(13)19-15/h3-11,16H,1-2H3
InChIKeyUTHVKCOYHFOUJG-UHFFFAOYSA-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
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81398235
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(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-methylsulfanylpropan-2-amine
CID 115721848
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
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62841314

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine (CID 62841659) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine is CC(NC(C)c1nc2ccccc2s1)c1ccsc1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is UTHVKCOYHFOUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-10(12-7-8-18-9-12)16-11(2)15-17-13-5-3-4-6-14(13)19-15/h3-11,16H,1-2H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-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 N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62841659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).