1-(2,5-difluorophenyl)-3-thiophen-2-ylurea

C11H8F2N2OS — CID 108889251

IUPAC1-(2,5-difluorophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1cc(F)ccc1F
InChIInChI=1S/C11H8F2N2OS/c12-7-3-4-8(13)9(6-7)14-11(16)15-10-2-1-5-17-10/h1-6H,(H2,14,15,16)
InChIKeyCGZUTFCGZOEOMZ-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.67
Rot. Bonds2

About 1-(2,5-difluorophenyl)-3-thiophen-2-ylurea

1-(2,5-difluorophenyl)-3-thiophen-2-ylurea (PubChem CID 108889251) has the molecular formula C11H8F2N2OS and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-thiophen-2-ylurea
PubChem CID108889251
Molecular FormulaC11H8F2N2OS
Molecular Weight254.26 g/mol
Exact Mass254.03
IUPAC Name1-(2,5-difluorophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1cc(F)ccc1F
InChIInChI=1S/C11H8F2N2OS/c12-7-3-4-8(13)9(6-7)14-11(16)15-10-2-1-5-17-10/h1-6H,(H2,14,15,16)
InChIKeyCGZUTFCGZOEOMZ-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
CID 108910441
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500143
3-(2,5-difluorophenyl)-1,1-dimethylurea
CID 110459919
(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide
CID 51496253
[2-(2,5-difluoroanilino)-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050758
1-(4-hydroxyphenyl)-3-thiophen-2-ylurea
CID 108889117
N-(2,5-difluorophenyl)-2,2-diphenylacetamide
CID 7770336
1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-thiophen-2-ylurea (CID 108889251) is 1-(2,5-difluorophenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-thiophen-2-ylurea is O=C(Nc1cccs1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-thiophen-2-ylurea?
The InChIKey is CGZUTFCGZOEOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2OS/c12-7-3-4-8(13)9(6-7)14-11(16)15-10-2-1-5-17-10/h1-6H,(H2,14,15,16).
What are the key properties of 1-(2,5-difluorophenyl)-3-thiophen-2-ylurea?
1-(2,5-difluorophenyl)-3-thiophen-2-ylurea has a molecular weight of 254.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 108889251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).