1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea

C7H9N3OS — CID 19686896

IUPAC1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea
SMILESS=C(Nc1ccon1)NC1CC1
InChIInChI=1S/C7H9N3OS/c12-7(8-5-1-2-5)9-6-3-4-11-10-6/h3-5H,1-2H2,(H2,8,9,10,12)
InChIKeyYANJATKSHSJWRY-UHFFFAOYSA-N
MW183.24 g/mol
LogP1.12
Rot. Bonds2

About 1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea

1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea (PubChem CID 19686896) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea
PubChem CID19686896
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea
SMILESS=C(Nc1ccon1)NC1CC1
InChIInChI=1S/C7H9N3OS/c12-7(8-5-1-2-5)9-6-3-4-11-10-6/h3-5H,1-2H2,(H2,8,9,10,12)
InChIKeyYANJATKSHSJWRY-UHFFFAOYSA-N
XLogP1.12
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea (CID 19686896) is 1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea is S=C(Nc1ccon1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea?
The InChIKey is YANJATKSHSJWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c12-7(8-5-1-2-5)9-6-3-4-11-10-6/h3-5H,1-2H2,(H2,8,9,10,12).
What are the key properties of 1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea?
1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea has a molecular weight of 183.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1,2-oxazol-3-yl)thiourea is sourced from PubChem (CID 19686896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).