1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one

C11H14N4OS — CID 55261427

IUPAC1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
SMILESCC(C)n1ccnc(NCc2cscn2)c1=O
InChIInChI=1S/C11H14N4OS/c1-8(2)15-4-3-12-10(11(15)16)13-5-9-6-17-7-14-9/h3-4,6-8H,5H2,1-2H3,(H,12,13)
InChIKeyJZCUQPMSNDKIIF-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.89
Rot. Bonds4

About 1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one

1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one (PubChem CID 55261427) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
PubChem CID55261427
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
SMILESCC(C)n1ccnc(NCc2cscn2)c1=O
InChIInChI=1S/C11H14N4OS/c1-8(2)15-4-3-12-10(11(15)16)13-5-9-6-17-7-14-9/h3-4,6-8H,5H2,1-2H3,(H,12,13)
InChIKeyJZCUQPMSNDKIIF-UHFFFAOYSA-N
XLogP1.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one (CID 55261427) is 1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one is CC(C)n1ccnc(NCc2cscn2)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The InChIKey is JZCUQPMSNDKIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8(2)15-4-3-12-10(11(15)16)13-5-9-6-17-7-14-9/h3-4,6-8H,5H2,1-2H3,(H,12,13).
What are the key properties of 1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one has a molecular weight of 250.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 55261427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).