N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine

C17H20N2S2 — CID 81153016

IUPACN-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cnc2ccsc2c1
InChIInChI=1S/C17H20N2S2/c1-2-8-18-15(6-5-14-4-3-9-20-14)13-11-17-16(19-12-13)7-10-21-17/h3-4,7,9-12,15,18H,2,5-6,8H2,1H3
InChIKeyHYDGXBUOTBODGW-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.03
Rot. Bonds7

About N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine

N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine (PubChem CID 81153016) has the molecular formula C17H20N2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
PubChem CID81153016
Molecular FormulaC17H20N2S2
Molecular Weight316.49 g/mol
Exact Mass316.11
IUPAC NameN-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cnc2ccsc2c1
InChIInChI=1S/C17H20N2S2/c1-2-8-18-15(6-5-14-4-3-9-20-14)13-11-17-16(19-12-13)7-10-21-17/h3-4,7,9-12,15,18H,2,5-6,8H2,1H3
InChIKeyHYDGXBUOTBODGW-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143135
N-ethyl-1-thieno[3,2-b]pyridin-6-yl-2-thiophen-2-ylethanamine
CID 81144170
N-[2-(furan-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 83183572
1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81144341
N-[2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 81143134
N-[2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 83183474
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699
N-[thieno[3,2-b]pyridin-6-yl(thiophen-3-yl)methyl]propan-1-amine
CID 81143136
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79712986
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine (CID 81153016) is N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1cnc2ccsc2c1.
What is the InChIKey of N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is HYDGXBUOTBODGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S2/c1-2-8-18-15(6-5-14-4-3-9-20-14)13-11-17-16(19-12-13)7-10-21-17/h3-4,7,9-12,15,18H,2,5-6,8H2,1H3.
What are the key properties of N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine?
N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 316.49 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 81153016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).