(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

C14H13NS2 — CID 115795113

IUPAC(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCc1ccccc1C(N)c1cc2sccc2s1
InChIInChI=1S/C14H13NS2/c1-9-4-2-3-5-10(9)14(15)13-8-12-11(17-13)6-7-16-12/h2-8,14H,15H2,1H3
InChIKeyQSIJOKOCGZIGBG-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.32
Rot. Bonds2

About (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 115795113) has the molecular formula C14H13NS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID115795113
Molecular FormulaC14H13NS2
Molecular Weight259.40 g/mol
Exact Mass259.05
IUPAC Name(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCc1ccccc1C(N)c1cc2sccc2s1
InChIInChI=1S/C14H13NS2/c1-9-4-2-3-5-10(9)14(15)13-8-12-11(17-13)6-7-16-12/h2-8,14H,15H2,1H3
InChIKeyQSIJOKOCGZIGBG-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745335
1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733291
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537
(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745438
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 106764406
(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 103134428
1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80734021
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867
[(2-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 102843257
2-(2-methylphenyl)-3-oxo-3-thieno[3,2-b]thiophen-5-ylpropanenitrile
CID 80745669

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 115795113) is (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is Cc1ccccc1C(N)c1cc2sccc2s1.
What is the InChIKey of (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is QSIJOKOCGZIGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS2/c1-9-4-2-3-5-10(9)14(15)13-8-12-11(17-13)6-7-16-12/h2-8,14H,15H2,1H3.
What are the key properties of (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 259.40 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 115795113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).