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

C17H22FN3OS — CID 131936227

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea
SMILESCCCc1nc(C)c(CNC(=O)NCCc2ccccc2F)s1
InChIInChI=1S/C17H22FN3OS/c1-3-6-16-21-12(2)15(23-16)11-20-17(22)19-10-9-13-7-4-5-8-14(13)18/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,19,20,22)
InChIKeyIVGYLLMORGYYPJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.59
Rot. Bonds7

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

1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 131936227) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID131936227
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea
SMILESCCCc1nc(C)c(CNC(=O)NCCc2ccccc2F)s1
InChIInChI=1S/C17H22FN3OS/c1-3-6-16-21-12(2)15(23-16)11-20-17(22)19-10-9-13-7-4-5-8-14(13)18/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,19,20,22)
InChIKeyIVGYLLMORGYYPJ-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91783367
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 47862975
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389314
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329182
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38949164
1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea
CID 74249509
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]benzamide
CID 110645392

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea (CID 131936227) is 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea is CCCc1nc(C)c(CNC(=O)NCCc2ccccc2F)s1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is IVGYLLMORGYYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-3-6-16-21-12(2)15(23-16)11-20-17(22)19-10-9-13-7-4-5-8-14(13)18/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea?
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 335.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 131936227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).