1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea

C18H17FN4O2S — CID 88996799

IUPAC1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCc1nc(NC(=O)NCCOc2cccc(F)c2)sc1-c1ccncc1
InChIInChI=1S/C18H17FN4O2S/c1-12-16(13-5-7-20-8-6-13)26-18(22-12)23-17(24)21-9-10-25-15-4-2-3-14(19)11-15/h2-8,11H,9-10H2,1H3,(H2,21,22,23,24)
InChIKeyIQNGNTNZOAXYCG-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.85
Rot. Bonds6

About 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea

1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 88996799) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID88996799
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCc1nc(NC(=O)NCCOc2cccc(F)c2)sc1-c1ccncc1
InChIInChI=1S/C18H17FN4O2S/c1-12-16(13-5-7-20-8-6-13)26-18(22-12)23-17(24)21-9-10-25-15-4-2-3-14(19)11-15/h2-8,11H,9-10H2,1H3,(H2,21,22,23,24)
InChIKeyIQNGNTNZOAXYCG-UHFFFAOYSA-N
XLogP3.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 88996799) is 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea is Cc1nc(NC(=O)NCCOc2cccc(F)c2)sc1-c1ccncc1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is IQNGNTNZOAXYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-12-16(13-5-7-20-8-6-13)26-18(22-12)23-17(24)21-9-10-25-15-4-2-3-14(19)11-15/h2-8,11H,9-10H2,1H3,(H2,21,22,23,24).
What are the key properties of 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 372.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 88996799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).