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

C14H20N4OS — CID 62939547

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)c2sc(C)nc2C)c1=O
InChIInChI=1S/C14H20N4OS/c1-5-7-18-8-6-15-13(14(18)19)17-10(3)12-9(2)16-11(4)20-12/h6,8,10H,5,7H2,1-4H3,(H,15,17)
InChIKeySUFYOQCIVCKPRV-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.90
Rot. Bonds5

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

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one (PubChem CID 62939547) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one
PubChem CID62939547
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)c2sc(C)nc2C)c1=O
InChIInChI=1S/C14H20N4OS/c1-5-7-18-8-6-15-13(14(18)19)17-10(3)12-9(2)16-11(4)20-12/h6,8,10H,5,7H2,1-4H3,(H,15,17)
InChIKeySUFYOQCIVCKPRV-UHFFFAOYSA-N
XLogP2.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one (CID 62939547) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NC(C)c2sc(C)nc2C)c1=O.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one?
The InChIKey is SUFYOQCIVCKPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-5-7-18-8-6-15-13(14(18)19)17-10(3)12-9(2)16-11(4)20-12/h6,8,10H,5,7H2,1-4H3,(H,15,17).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-propylpyrazin-2-one has a molecular weight of 292.41 g/mol, XLogP of 2.90, 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-propylpyrazin-2-one is sourced from PubChem (CID 62939547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).