7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

C20H16N2OS — CID 67624921

IUPAC7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCc1cnc(Nc2ccc(Oc3ccccc3)cc2)c2ccsc12
InChIInChI=1S/C20H16N2OS/c1-14-13-21-20(18-11-12-24-19(14)18)22-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22)
InChIKeyPEOLBFDBJDCCFH-UHFFFAOYSA-N
MW332.43 g/mol
LogP6.14
Rot. Bonds4

About 7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 67624921) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID67624921
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCc1cnc(Nc2ccc(Oc3ccccc3)cc2)c2ccsc12
InChIInChI=1S/C20H16N2OS/c1-14-13-21-20(18-11-12-24-19(14)18)22-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22)
InChIKeyPEOLBFDBJDCCFH-UHFFFAOYSA-N
XLogP6.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (CID 67624921) is 7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is Cc1cnc(Nc2ccc(Oc3ccccc3)cc2)c2ccsc12.
What is the InChIKey of 7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is PEOLBFDBJDCCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-14-13-21-20(18-11-12-24-19(14)18)22-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22).
What are the key properties of 7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 332.43 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 67624921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).