1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea

C12H12ClN3O2S — CID 47149786

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCOc1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C12H12ClN3O2S/c13-9-1-3-10(4-2-9)18-7-5-14-11(17)16-12-15-6-8-19-12/h1-4,6,8H,5,7H2,(H2,14,15,16,17)
InChIKeyYEIAMXMYCBWCDE-UHFFFAOYSA-N
MW297.77 g/mol
LogP3.00
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea

1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 47149786) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID47149786
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCOc1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C12H12ClN3O2S/c13-9-1-3-10(4-2-9)18-7-5-14-11(17)16-12-15-6-8-19-12/h1-4,6,8H,5,7H2,(H2,14,15,16,17)
InChIKeyYEIAMXMYCBWCDE-UHFFFAOYSA-N
XLogP3.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea
CID 108883461
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47085432
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470404
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746582
1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
CID 67416108
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide
CID 54599213
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea (CID 47149786) is 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea is O=C(NCCOc1ccc(Cl)cc1)Nc1nccs1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is YEIAMXMYCBWCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-9-1-3-10(4-2-9)18-7-5-14-11(17)16-12-15-6-8-19-12/h1-4,6,8H,5,7H2,(H2,14,15,16,17).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 297.77 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47149786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).