1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one

C8H10N4OS — CID 80581145

IUPAC1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2csc(N)n2)c1=O
InChIInChI=1S/C8H10N4OS/c1-11-2-3-12(8(11)13)4-6-5-14-7(9)10-6/h2-3,5H,4H2,1H3,(H2,9,10)
InChIKeyAWJJARJAOUDGOA-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.27
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one

1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one (PubChem CID 80581145) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one
PubChem CID80581145
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2csc(N)n2)c1=O
InChIInChI=1S/C8H10N4OS/c1-11-2-3-12(8(11)13)4-6-5-14-7(9)10-6/h2-3,5H,4H2,1H3,(H2,9,10)
InChIKeyAWJJARJAOUDGOA-UHFFFAOYSA-N
XLogP0.27
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.27
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-4-yl)methyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one (CID 80581145) is 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one is Cn1ccn(Cc2csc(N)n2)c1=O.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one?
The InChIKey is AWJJARJAOUDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-11-2-3-12(8(11)13)4-6-5-14-7(9)10-6/h2-3,5H,4H2,1H3,(H2,9,10).
What are the key properties of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one?
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-methylimidazol-2-one has a molecular weight of 210.26 g/mol, XLogP of 0.27, 2 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-4-yl)methyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80581145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).