1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea

C11H17N3O3S — CID 154836734

IUPAC1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCOc1cnc(NC(=O)NC(C)C2CCOC2)s1
InChIInChI=1S/C11H17N3O3S/c1-7(8-3-4-17-6-8)13-10(15)14-11-12-5-9(16-2)18-11/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyBXXXTJPPARISSZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.70
Rot. Bonds4

About 1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea

1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea (PubChem CID 154836734) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea
PubChem CID154836734
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCOc1cnc(NC(=O)NC(C)C2CCOC2)s1
InChIInChI=1S/C11H17N3O3S/c1-7(8-3-4-17-6-8)13-10(15)14-11-12-5-9(16-2)18-11/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyBXXXTJPPARISSZ-UHFFFAOYSA-N
XLogP1.70
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea 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-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea (CID 154836734) is 1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea is COc1cnc(NC(=O)NC(C)C2CCOC2)s1.
What is the InChIKey of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea?
The InChIKey is BXXXTJPPARISSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(8-3-4-17-6-8)13-10(15)14-11-12-5-9(16-2)18-11/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea?
1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea has a molecular weight of 271.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[1-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 154836734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).