ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine

C23H26N2OS — CID 143138132

IUPACethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine
SMILESC.CC.NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H16N2OS.C2H6.CH4/c21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-2;/h1-10,12-13H,11,21H2;1-2H3;1H4
InChIKeyJBPFGFAQNOQRFS-UHFFFAOYSA-N
MW378.54 g/mol
LogP6.88
Rot. Bonds4

About ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine

ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine (PubChem CID 143138132) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine.

Molecular Properties

Compound Nameethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine
PubChem CID143138132
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Nameethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine
SMILESC.CC.NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H16N2OS.C2H6.CH4/c21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-2;/h1-10,12-13H,11,21H2;1-2H3;1H4
InChIKeyJBPFGFAQNOQRFS-UHFFFAOYSA-N
XLogP6.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
The IUPAC name of ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine (CID 143138132) is ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine.
What is the SMILES notation for ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
The canonical SMILES for ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine is C.CC.NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
The InChIKey is JBPFGFAQNOQRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS.C2H6.CH4/c21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-2;/h1-10,12-13H,11,21H2;1-2H3;1H4.
What are the key properties of ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine has a molecular weight of 378.54 g/mol, XLogP of 6.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine is sourced from PubChem (CID 143138132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).