1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

C13H13FN2O2S — CID 90496696

IUPAC1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESO=C(NCC(O)c1ccsc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2S/c14-10-1-3-11(4-2-10)16-13(18)15-7-12(17)9-5-6-19-8-9/h1-6,8,12,17H,7H2,(H2,15,16,18)
InChIKeyAHCWCJVVLMNYHL-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.74
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 90496696) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID90496696
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESO=C(NCC(O)c1ccsc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2S/c14-10-1-3-11(4-2-10)16-13(18)15-7-12(17)9-5-6-19-8-9/h1-6,8,12,17H,7H2,(H2,15,16,18)
InChIKeyAHCWCJVVLMNYHL-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea
CID 95774476
1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443096
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90496691
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 111441740
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
2-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoylamino]thiophene-3-carboxylic acid
CID 106435996
1-(3-butoxyphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443170

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 90496696) is 1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is O=C(NCC(O)c1ccsc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is AHCWCJVVLMNYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c14-10-1-3-11(4-2-10)16-13(18)15-7-12(17)9-5-6-19-8-9/h1-6,8,12,17H,7H2,(H2,15,16,18).
What are the key properties of 1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 280.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 90496696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).