N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine

C16H18N2S2 — CID 105022872

IUPACN-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1cc2sccc2s1
InChIInChI=1S/C16H18N2S2/c1-3-5-18-16(12-7-11(2)9-17-10-12)15-8-14-13(20-15)4-6-19-14/h4,6-10,16,18H,3,5H2,1-2H3
InChIKeyBPDOIUUXGJKXHO-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.76
Rot. Bonds5

About N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine

N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine (PubChem CID 105022872) has the molecular formula C16H18N2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
PubChem CID105022872
Molecular FormulaC16H18N2S2
Molecular Weight302.47 g/mol
Exact Mass302.09
IUPAC NameN-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1cc2sccc2s1
InChIInChI=1S/C16H18N2S2/c1-3-5-18-16(12-7-11(2)9-17-10-12)15-8-14-13(20-15)4-6-19-14/h4,6-10,16,18H,3,5H2,1-2H3
InChIKeyBPDOIUUXGJKXHO-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
N-[(5-chlorothiophen-2-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022772
N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115811372
N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105018529
N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115852659
N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80734490
[(5-propoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105330163
N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 80733814
N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143320
N-[(3-chloro-4-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022789
N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530971

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine (CID 105022872) is N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine is CCCNC(c1cncc(C)c1)c1cc2sccc2s1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The InChIKey is BPDOIUUXGJKXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S2/c1-3-5-18-16(12-7-11(2)9-17-10-12)15-8-14-13(20-15)4-6-19-14/h4,6-10,16,18H,3,5H2,1-2H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine has a molecular weight of 302.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 105022872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).