1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one

C16H23N5OS — CID 128976284

IUPAC1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCC(NCc3csc(C)n3)CC2)c1=O
InChIInChI=1S/C16H23N5OS/c1-3-20-9-6-17-15(16(20)22)21-7-4-13(5-8-21)18-10-14-11-23-12(2)19-14/h6,9,11,13,18H,3-5,7-8,10H2,1-2H3
InChIKeyGHXFNODVLMKBGL-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.79
Rot. Bonds5

About 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one

1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one (PubChem CID 128976284) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
PubChem CID128976284
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCC(NCc3csc(C)n3)CC2)c1=O
InChIInChI=1S/C16H23N5OS/c1-3-20-9-6-17-15(16(20)22)21-7-4-13(5-8-21)18-10-14-11-23-12(2)19-14/h6,9,11,13,18H,3-5,7-8,10H2,1-2H3
InChIKeyGHXFNODVLMKBGL-UHFFFAOYSA-N
XLogP1.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one with MolForge

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Related Compounds

1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 128976255
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 128976328
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976628
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one
CID 64654695
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
4-ethyl-N-[1-(4-ethyl-3-oxopyrazin-2-yl)piperidin-4-yl]benzamide
CID 129000920
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
1-(3-methylbut-2-enyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 61282827

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one (CID 128976284) is 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one is CCn1ccnc(N2CCC(NCc3csc(C)n3)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The InChIKey is GHXFNODVLMKBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-3-20-9-6-17-15(16(20)22)21-7-4-13(5-8-21)18-10-14-11-23-12(2)19-14/h6,9,11,13,18H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one has a molecular weight of 333.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 128976284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).