1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine

C20H17N3S2 — CID 11210706

IUPAC1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine
SMILESc1cncc(-c2ccc(CNCc3ccc(-c4cccnc4)s3)s2)c1
InChIInChI=1S/C20H17N3S2/c1-3-15(11-21-9-1)19-7-5-17(24-19)13-23-14-18-6-8-20(25-18)16-4-2-10-22-12-16/h1-12,23H,13-14H2
InChIKeyCKCZUAVVHJHNJY-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.22
Rot. Bonds6

About 1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine

1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine (PubChem CID 11210706) has the molecular formula C20H17N3S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine
PubChem CID11210706
Molecular FormulaC20H17N3S2
Molecular Weight363.51 g/mol
Exact Mass363.09
IUPAC Name1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine
SMILESc1cncc(-c2ccc(CNCc3ccc(-c4cccnc4)s3)s2)c1
InChIInChI=1S/C20H17N3S2/c1-3-15(11-21-9-1)19-7-5-17(24-19)13-23-14-18-6-8-20(25-18)16-4-2-10-22-12-16/h1-12,23H,13-14H2
InChIKeyCKCZUAVVHJHNJY-UHFFFAOYSA-N
XLogP5.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine (CID 11210706) is 1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine is c1cncc(-c2ccc(CNCc3ccc(-c4cccnc4)s3)s2)c1.
What is the InChIKey of 1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine?
The InChIKey is CKCZUAVVHJHNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S2/c1-3-15(11-21-9-1)19-7-5-17(24-19)13-23-14-18-6-8-20(25-18)16-4-2-10-22-12-16/h1-12,23H,13-14H2.
What are the key properties of 1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine?
1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine has a molecular weight of 363.51 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-ylthiophen-2-yl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 11210706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).