1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one

C9H12N4OS — CID 80583223

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2cnc(N)s2)c1=O
InChIInChI=1S/C9H12N4OS/c1-2-12-3-4-13(9(12)14)6-7-5-11-8(10)15-7/h3-5H,2,6H2,1H3,(H2,10,11)
InChIKeyLYZHYFFELCLFAZ-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.76
Rot. Bonds3

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one

1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one (PubChem CID 80583223) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one
PubChem CID80583223
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2cnc(N)s2)c1=O
InChIInChI=1S/C9H12N4OS/c1-2-12-3-4-13(9(12)14)6-7-5-11-8(10)15-7/h3-5H,2,6H2,1H3,(H2,10,11)
InChIKeyLYZHYFFELCLFAZ-UHFFFAOYSA-N
XLogP0.76
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one (CID 80583223) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one is CCn1ccn(Cc2cnc(N)s2)c1=O.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one?
The InChIKey is LYZHYFFELCLFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-2-12-3-4-13(9(12)14)6-7-5-11-8(10)15-7/h3-5H,2,6H2,1H3,(H2,10,11).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one has a molecular weight of 224.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 80583223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).