N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine

C16H18N2S2 — CID 80745597

IUPACN-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCCNC(Cc1ccc(C)cn1)c1cc2sccc2s1
InChIInChI=1S/C16H18N2S2/c1-3-17-13(8-12-5-4-11(2)10-18-12)15-9-16-14(20-15)6-7-19-16/h4-7,9-10,13,17H,3,8H2,1-2H3
InChIKeySXDLAKJCCDNCLA-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.56
Rot. Bonds5

About N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine

N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 80745597) has the molecular formula C16H18N2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID80745597
Molecular FormulaC16H18N2S2
Molecular Weight302.47 g/mol
Exact Mass302.09
IUPAC NameN-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCCNC(Cc1ccc(C)cn1)c1cc2sccc2s1
InChIInChI=1S/C16H18N2S2/c1-3-17-13(8-12-5-4-11(2)10-18-12)15-9-16-14(20-15)6-7-19-16/h4-7,9-10,13,17H,3,8H2,1-2H3
InChIKeySXDLAKJCCDNCLA-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 104990153
1-(5-bromothiophen-3-yl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107963062
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81111195
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115840517
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818726
N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738448
N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 66459653
N-[2-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
CID 115821315
N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 103030285
N-ethyl-2-(5-methyl-2-pyridinyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 66447725
N-ethyl-2-(5-methyl-2-pyridinyl)-1-pyridin-3-ylethanamine
CID 66447908
N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 80745597) is N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine is CCNC(Cc1ccc(C)cn1)c1cc2sccc2s1.
What is the InChIKey of N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is SXDLAKJCCDNCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S2/c1-3-17-13(8-12-5-4-11(2)10-18-12)15-9-16-14(20-15)6-7-19-16/h4-7,9-10,13,17H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 302.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 80745597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).