1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone

C15H18N2OS — CID 62050646

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)Cc2ccncc2)c(C)s1
InChIInChI=1S/C15H18N2OS/c1-11-8-14(12(2)19-11)15(18)10-17(3)9-13-4-6-16-7-5-13/h4-8H,9-10H2,1-3H3
InChIKeyRRSXOJCVKHRLSM-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.07
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone

1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone (PubChem CID 62050646) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
PubChem CID62050646
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)Cc2ccncc2)c(C)s1
InChIInChI=1S/C15H18N2OS/c1-11-8-14(12(2)19-11)15(18)10-17(3)9-13-4-6-16-7-5-13/h4-8H,9-10H2,1-3H3
InChIKeyRRSXOJCVKHRLSM-UHFFFAOYSA-N
XLogP3.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone (CID 62050646) is 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone is Cc1cc(C(=O)CN(C)Cc2ccncc2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The InChIKey is RRSXOJCVKHRLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-8-14(12(2)19-11)15(18)10-17(3)9-13-4-6-16-7-5-13/h4-8H,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone has a molecular weight of 274.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone is sourced from PubChem (CID 62050646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).