2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine

C15H12N2S3 — CID 80738576

IUPAC2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1nc2ccccc2s1)c1cc2sccc2s1
InChIInChI=1S/C15H12N2S3/c16-9(13-8-14-12(19-13)5-6-18-14)7-15-17-10-3-1-2-4-11(10)20-15/h1-6,8-9H,7,16H2
InChIKeyJYGLIZSDJJJFFD-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.82
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine

2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 80738576) has the molecular formula C15H12N2S3 and a molecular weight of 316.48 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID80738576
Molecular FormulaC15H12N2S3
Molecular Weight316.48 g/mol
Exact Mass316.02
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1nc2ccccc2s1)c1cc2sccc2s1
InChIInChI=1S/C15H12N2S3/c16-9(13-8-14-12(19-13)5-6-18-14)7-15-17-10-3-1-2-4-11(10)20-15/h1-6,8-9H,7,16H2
InChIKeyJYGLIZSDJJJFFD-UHFFFAOYSA-N
XLogP4.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793
2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 43118621
2-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)ethanamine
CID 43118698
2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 112655417
2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80733712
2-(1,3-benzothiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 79754913
2-(1,3-benzothiazol-2-yl)-1-(3-bromo-4-fluorophenyl)ethanamine
CID 82809666
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine
CID 105016121
2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine
CID 79095111
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791130
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 80738576) is 2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine is NC(Cc1nc2ccccc2s1)c1cc2sccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is JYGLIZSDJJJFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S3/c16-9(13-8-14-12(19-13)5-6-18-14)7-15-17-10-3-1-2-4-11(10)20-15/h1-6,8-9H,7,16H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 316.48 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 80738576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).