1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea

C15H18FN3O3S — CID 25050368

IUPAC1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea
SMILESCOCCOCc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C15H18FN3O3S/c1-21-5-6-22-9-13-10-23-15(18-13)19-14(20)17-8-11-3-2-4-12(16)7-11/h2-4,7,10H,5-6,8-9H2,1H3,(H2,17,18,19,20)
InChIKeyLSYKEPJGAPQGGJ-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.77
Rot. Bonds8

About 1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea

1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea (PubChem CID 25050368) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea
PubChem CID25050368
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea
SMILESCOCCOCc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C15H18FN3O3S/c1-21-5-6-22-9-13-10-23-15(18-13)19-14(20)17-8-11-3-2-4-12(16)7-11/h2-4,7,10H,5-6,8-9H2,1H3,(H2,17,18,19,20)
InChIKeyLSYKEPJGAPQGGJ-UHFFFAOYSA-N
XLogP2.77
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea (CID 25050368) is 1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea is COCCOCc1csc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is LSYKEPJGAPQGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-21-5-6-22-9-13-10-23-15(18-13)19-14(20)17-8-11-3-2-4-12(16)7-11/h2-4,7,10H,5-6,8-9H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea?
1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 339.39 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 25050368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).