3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

C14H18ClN3OS — CID 62940736

IUPAC3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC(C)c2ccc(Cl)s2)c1=O
InChIInChI=1S/C14H18ClN3OS/c1-9(2)8-18-7-6-16-13(14(18)19)17-10(3)11-4-5-12(15)20-11/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyXPPBFLUIUOECAE-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.79
Rot. Bonds5

About 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62940736) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62940736
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC(C)c2ccc(Cl)s2)c1=O
InChIInChI=1S/C14H18ClN3OS/c1-9(2)8-18-7-6-16-13(14(18)19)17-10(3)11-4-5-12(15)20-11/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyXPPBFLUIUOECAE-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one
CID 62940745
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939708
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731052
3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62940182
3-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 114155564
methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate
CID 62938384
3-[(4-chloro-1-methoxybutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106154116
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
methyl 4-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]pentanoate
CID 62939090

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 62940736) is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NC(C)c2ccc(Cl)s2)c1=O.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is XPPBFLUIUOECAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-9(2)8-18-7-6-16-13(14(18)19)17-10(3)11-4-5-12(15)20-11/h4-7,9-10H,8H2,1-3H3,(H,16,17).
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 311.84 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62940736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).