1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine

C13H11ClN2S2 — CID 81144357

IUPAC1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCNC(c1cnc2ccsc2c1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN2S2/c1-15-13(10-2-3-12(14)18-10)8-6-11-9(16-7-8)4-5-17-11/h2-7,13,15H,1H3
InChIKeyUJXVHPVGXLJCQW-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.32
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine

1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine (PubChem CID 81144357) has the molecular formula C13H11ClN2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
PubChem CID81144357
Molecular FormulaC13H11ClN2S2
Molecular Weight294.83 g/mol
Exact Mass294.01
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCNC(c1cnc2ccsc2c1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN2S2/c1-15-13(10-2-3-12(14)18-10)8-6-11-9(16-7-8)4-5-17-11/h2-7,13,15H,1H3
InChIKeyUJXVHPVGXLJCQW-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-thieno[3,2-b]pyridin-6-yl-1-thiophen-2-ylmethanamine
CID 81143417
1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144449
1-[(1E)-cycloocten-1-yl]-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 106654066
2-(4-chlorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143973
1-(4-bromothiophen-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143794
N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144346
1-(2,4-difluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143030
N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143320
1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143896
1-(5-chlorothiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026778
1-thieno[3,2-b]pyridin-6-ylethanol
CID 64830910
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 102647907

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine (CID 81144357) is 1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine is CNC(c1cnc2ccsc2c1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The InChIKey is UJXVHPVGXLJCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S2/c1-15-13(10-2-3-12(14)18-10)8-6-11-9(16-7-8)4-5-17-11/h2-7,13,15H,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine has a molecular weight of 294.83 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine is sourced from PubChem (CID 81144357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).