5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one

C7H8N2O2S — CID 137249127

IUPAC5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=N/C2CC2)s1
InChIInChI=1S/C7H8N2O2S/c10-6-5(12-7(11)9-6)3-8-4-1-2-4/h3-4,10H,1-2H2,(H,9,11)/b8-3+
InChIKeyMJEKAPPPPGQHTA-FPYGCLRLSA-N
MW184.22 g/mol
LogP0.72
Rot. Bonds2

About 5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one

5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 137249127) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID137249127
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=N/C2CC2)s1
InChIInChI=1S/C7H8N2O2S/c10-6-5(12-7(11)9-6)3-8-4-1-2-4/h3-4,10H,1-2H2,(H,9,11)/b8-3+
InChIKeyMJEKAPPPPGQHTA-FPYGCLRLSA-N
XLogP0.72
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one (CID 137249127) is 5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(/C=N/C2CC2)s1.
What is the InChIKey of 5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is MJEKAPPPPGQHTA-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H8N2O2S/c10-6-5(12-7(11)9-6)3-8-4-1-2-4/h3-4,10H,1-2H2,(H,9,11)/b8-3+.
What are the key properties of 5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one?
5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 184.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 137249127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).