1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine

C14H16ClN3S — CID 114925026

IUPAC1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(N2CCc3sccc3C2)ncc1Cl
InChIInChI=1S/C14H16ClN3S/c1-16-7-11-6-14(17-8-12(11)15)18-4-2-13-10(9-18)3-5-19-13/h3,5-6,8,16H,2,4,7,9H2,1H3
InChIKeyGBQXHGYAAYKLHK-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.08
Rot. Bonds3

About 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine

1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 114925026) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID114925026
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(N2CCc3sccc3C2)ncc1Cl
InChIInChI=1S/C14H16ClN3S/c1-16-7-11-6-14(17-8-12(11)15)18-4-2-13-10(9-18)3-5-19-13/h3,5-6,8,16H,2,4,7,9H2,1H3
InChIKeyGBQXHGYAAYKLHK-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine with MolForge

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Related Compounds

N1-((5-Chloro-2-thienyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine
CID 8993
4-(Piperazin-1-yl)thieno[3,2-c]pyridine
CID 10966027
Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
CID 13734
4-Piperazine-1-yl-thieno[2,3-c]pyridine hydrochloride
CID 45259316
Chlorothen hydrochloride
CID 67410
7-Chlorothieno[3,2-c]pyridin-4-amine
CID 130814982
1-Pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine
CID 763728
1-[(3-Methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 792508
2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3235233
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 44528535
3-(3-Chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine
CID 11403217
Pyridine, 2-(2-(dimethylaminoethyl)-3-(2-chlorothenylamino))-, hydrochloride
CID 114029

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine (CID 114925026) is 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1cc(N2CCc3sccc3C2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is GBQXHGYAAYKLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-16-7-11-6-14(17-8-12(11)15)18-4-2-13-10(9-18)3-5-19-13/h3,5-6,8,16H,2,4,7,9H2,1H3.
What are the key properties of 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 293.82 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114925026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).