3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

C15H22N4OS — CID 62939708

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCc1nc(C)c(C(C)Nc2nccn(CC(C)C)c2=O)s1
InChIInChI=1S/C15H22N4OS/c1-9(2)8-19-7-6-16-14(15(19)20)18-11(4)13-10(3)17-12(5)21-13/h6-7,9,11H,8H2,1-5H3,(H,16,18)
InChIKeyHBPYCLVBLACUDX-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.15
Rot. Bonds5

About 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62939708) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62939708
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCc1nc(C)c(C(C)Nc2nccn(CC(C)C)c2=O)s1
InChIInChI=1S/C15H22N4OS/c1-9(2)8-19-7-6-16-14(15(19)20)18-11(4)13-10(3)17-12(5)21-13/h6-7,9,11H,8H2,1-5H3,(H,16,18)
InChIKeyHBPYCLVBLACUDX-UHFFFAOYSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 94195848
N~2~-[(dimethylamino)carbonyl]-N~1~-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]glycinamide
CID 91794831
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 47317384
4-Methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 69594346
4-Methyl-5-[1-(3-methylbutylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 69594385
5-[1-(Butylamino)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 69594392
4-Methyl-5-[1-(2-methylpropylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 69594420
4-Methyl-5-[1-(propylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 69699777
N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide
CID 43203053
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylacetamide
CID 43310385
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 43310810
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide
CID 43566850

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 62939708) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is Cc1nc(C)c(C(C)Nc2nccn(CC(C)C)c2=O)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is HBPYCLVBLACUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9(2)8-19-7-6-16-14(15(19)20)18-11(4)13-10(3)17-12(5)21-13/h6-7,9,11H,8H2,1-5H3,(H,16,18).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 306.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62939708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).