1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea

C17H23N3O2S — CID 166210884

IUPAC1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea
SMILESCC(C)(C)c1ccc(OCCNC(=O)NCc2cncs2)cc1
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)13-4-6-14(7-5-13)22-9-8-19-16(21)20-11-15-10-18-12-23-15/h4-7,10,12H,8-9,11H2,1-3H3,(H2,19,20,21)
InChIKeyLEFHNCBZUXVQNX-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.32
Rot. Bonds6

About 1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea

1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea (PubChem CID 166210884) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea
PubChem CID166210884
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea
SMILESCC(C)(C)c1ccc(OCCNC(=O)NCc2cncs2)cc1
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)13-4-6-14(7-5-13)22-9-8-19-16(21)20-11-15-10-18-12-23-15/h4-7,10,12H,8-9,11H2,1-3H3,(H2,19,20,21)
InChIKeyLEFHNCBZUXVQNX-UHFFFAOYSA-N
XLogP3.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.32
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-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)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-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801
1-butyl-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882694
1-[3-(4-tert-butylphenoxy)propyl]-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108882974
1-[(4-bromophenyl)methyl]-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882982
1-[2-(4-tert-butylphenoxy)ethyl]-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea
CID 47016753
1-[3-(4-tert-butylphenoxy)propyl]-3-[2-(diethylamino)ethyl]urea
CID 108882809
N-[2-(4-tert-butylphenoxy)ethyl]-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzamide
CID 168583738
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea
CID 110747780
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
CID 108882913
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
1-[2-(4-tert-butylphenoxy)ethyl]-3-(4-cyanophenyl)urea
CID 112972931

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea (CID 166210884) is 1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea is CC(C)(C)c1ccc(OCCNC(=O)NCc2cncs2)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea?
The InChIKey is LEFHNCBZUXVQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(2,3)13-4-6-14(7-5-13)22-9-8-19-16(21)20-11-15-10-18-12-23-15/h4-7,10,12H,8-9,11H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea?
1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea has a molecular weight of 333.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea is sourced from PubChem (CID 166210884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).