N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine

C16H18N2S2 — CID 81143320

IUPACN-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccsc2c1)c1ccc(C)s1
InChIInChI=1S/C16H18N2S2/c1-3-7-17-16(14-5-4-11(2)20-14)12-9-15-13(18-10-12)6-8-19-15/h4-6,8-10,16-17H,3,7H2,1-2H3
InChIKeyCYBPQLYIDAOYJL-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.76
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine

N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine (PubChem CID 81143320) has the molecular formula C16H18N2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
PubChem CID81143320
Molecular FormulaC16H18N2S2
Molecular Weight302.47 g/mol
Exact Mass302.09
IUPAC NameN-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccsc2c1)c1ccc(C)s1
InChIInChI=1S/C16H18N2S2/c1-3-7-17-16(14-5-4-11(2)20-14)12-9-15-13(18-10-12)6-8-19-15/h4-6,8-10,16-17H,3,7H2,1-2H3
InChIKeyCYBPQLYIDAOYJL-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-[thieno[3,2-b]pyridin-6-yl(thiophen-3-yl)methyl]propan-1-amine
CID 81143136
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052
N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81153035
N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143617
N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026808
N-[2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 81143134
N-[(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105025951
4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143135
N-[cyclopentyl(thieno[3,2-b]pyridin-6-yl)methyl]propan-1-amine
CID 81144181
1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144357
N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81153511
N-[(3-bromo-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81472156

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine (CID 81143320) is N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine is CCCNC(c1cnc2ccsc2c1)c1ccc(C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
The InChIKey is CYBPQLYIDAOYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S2/c1-3-7-17-16(14-5-4-11(2)20-14)12-9-15-13(18-10-12)6-8-19-15/h4-6,8-10,16-17H,3,7H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-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-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine is sourced from PubChem (CID 81143320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).