1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one

C10H12N4OS — CID 63831380

IUPAC1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
SMILESCn1ccnc(NCCc2cscn2)c1=O
InChIInChI=1S/C10H12N4OS/c1-14-5-4-12-9(10(14)15)11-3-2-8-6-16-7-13-8/h4-7H,2-3H2,1H3,(H,11,12)
InChIKeyFZTMIKPZXJCAGI-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.89
Rot. Bonds4

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

1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one (PubChem CID 63831380) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
PubChem CID63831380
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
SMILESCn1ccnc(NCCc2cscn2)c1=O
InChIInChI=1S/C10H12N4OS/c1-14-5-4-12-9(10(14)15)11-3-2-8-6-16-7-13-8/h4-7H,2-3H2,1H3,(H,11,12)
InChIKeyFZTMIKPZXJCAGI-UHFFFAOYSA-N
XLogP0.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one (CID 63831380) is 1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one is Cn1ccnc(NCCc2cscn2)c1=O.
What is the InChIKey of 1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The InChIKey is FZTMIKPZXJCAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-5-4-12-9(10(14)15)11-3-2-8-6-16-7-13-8/h4-7H,2-3H2,1H3,(H,11,12).
What are the key properties of 1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one has a molecular weight of 236.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 63831380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).