3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one

C7H7N3OS — CID 103126048

IUPAC3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1Cc1cncs1
InChIInChI=1S/C7H7N3OS/c11-7-9-1-2-10(7)4-6-3-8-5-12-6/h1-3,5H,4H2,(H,9,11)
InChIKeyUSFOVCAWWUWXDK-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.68
Rot. Bonds2

About 3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one

3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one (PubChem CID 103126048) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one
PubChem CID103126048
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1Cc1cncs1
InChIInChI=1S/C7H7N3OS/c11-7-9-1-2-10(7)4-6-3-8-5-12-6/h1-3,5H,4H2,(H,9,11)
InChIKeyUSFOVCAWWUWXDK-UHFFFAOYSA-N
XLogP0.68
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one?
The IUPAC name of 3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one (CID 103126048) is 3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one is O=c1[nH]ccn1Cc1cncs1.
What is the InChIKey of 3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one?
The InChIKey is USFOVCAWWUWXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c11-7-9-1-2-10(7)4-6-3-8-5-12-6/h1-3,5H,4H2,(H,9,11).
What are the key properties of 3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one?
3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one has a molecular weight of 181.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one is sourced from PubChem (CID 103126048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).