1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone

C13H13ClN2OS — CID 62051633

IUPAC1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Cl)s1)Cc1ccncc1
InChIInChI=1S/C13H13ClN2OS/c1-16(8-10-4-6-15-7-5-10)9-11(17)12-2-3-13(14)18-12/h2-7H,8-9H2,1H3
InChIKeyMGITUYNFWMNMSI-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.11
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone (PubChem CID 62051633) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
PubChem CID62051633
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Cl)s1)Cc1ccncc1
InChIInChI=1S/C13H13ClN2OS/c1-16(8-10-4-6-15-7-5-10)9-11(17)12-2-3-13(14)18-12/h2-7H,8-9H2,1H3
InChIKeyMGITUYNFWMNMSI-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide
CID 62050605
1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 62029604
1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661989
1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428736
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62050646
N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 46997041
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984356
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
1-(2-methoxyphenyl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052794
1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051366
N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N'-formyl-N-methyloxamide
CID 135136349
1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
CID 55010591

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone (CID 62051633) is 1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone is CN(CC(=O)c1ccc(Cl)s1)Cc1ccncc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The InChIKey is MGITUYNFWMNMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-16(8-10-4-6-15-7-5-10)9-11(17)12-2-3-13(14)18-12/h2-7H,8-9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone has a molecular weight of 280.78 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone is sourced from PubChem (CID 62051633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).