[2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone

C15H16N2O2S — CID 53013888

IUPAC[2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)ccn2)s1
InChIInChI=1S/C15H16N2O2S/c1-11-2-3-14(20-11)13-10-12(4-5-16-13)15(18)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyJWKKCRJLKVCJRG-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.59
Rot. Bonds2

About [2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone

[2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 53013888) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone
PubChem CID53013888
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name[2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)ccn2)s1
InChIInChI=1S/C15H16N2O2S/c1-11-2-3-14(20-11)13-10-12(4-5-16-13)15(18)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyJWKKCRJLKVCJRG-UHFFFAOYSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone (CID 53013888) is [2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone is Cc1ccc(-c2cc(C(=O)N3CCOCC3)ccn2)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is JWKKCRJLKVCJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-2-3-14(20-11)13-10-12(4-5-16-13)15(18)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3.
What are the key properties of [2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone?
[2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 288.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-4-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53013888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).