1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea

C9H15N3OS — CID 91621484

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea
SMILESCCCNC(=S)Nc1nc(C)c(C)o1
InChIInChI=1S/C9H15N3OS/c1-4-5-10-9(14)12-8-11-6(2)7(3)13-8/h4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyWVINBHWFVAWWNX-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.99
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea (PubChem CID 91621484) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea
PubChem CID91621484
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea
SMILESCCCNC(=S)Nc1nc(C)c(C)o1
InChIInChI=1S/C9H15N3OS/c1-4-5-10-9(14)12-8-11-6(2)7(3)13-8/h4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyWVINBHWFVAWWNX-UHFFFAOYSA-N
XLogP1.99
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea (CID 91621484) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea is CCCNC(=S)Nc1nc(C)c(C)o1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea?
The InChIKey is WVINBHWFVAWWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-4-5-10-9(14)12-8-11-6(2)7(3)13-8/h4-5H2,1-3H3,(H2,10,11,12,14).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea has a molecular weight of 213.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-propylthiourea is sourced from PubChem (CID 91621484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).