1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

C14H15FN2OS — CID 3639889

IUPAC1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(CC1=CC=CS1)NC(=O)NC2=CC=C(C=C2)F
InChIInChI=1S/C14H15FN2OS/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18)
InChIKeyYFPKHIBGCPRLBH-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 3639889) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
PubChem CID3639889
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(CC1=CC=CS1)NC(=O)NC2=CC=C(C=C2)F
InChIInChI=1S/C14H15FN2OS/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18)
InChIKeyYFPKHIBGCPRLBH-UHFFFAOYSA-N
XLogP3.10
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity295

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 804072
N-(2-cyanoethyl)-N'-phenyl-N-(2-thienylmethyl)urea
CID 2812721
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
N-cyclopentyl-N'-phenyl-N-(2-thienylmethyl)urea
CID 935299
N-(2,4-difluorophenyl)-N'-thien-2-ylurea
CID 4101595
N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 2805668
1-Phenyl-3-(thiophen-2-ylmethyl)thiourea
CID 841821
1-Phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2998480
N-(4-methylbenzyl)-N'-thien-2-ylurea
CID 3237696
1-(4-Chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 3600113
1-Phenyl-3-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 3994336
3-(3-Methylbutyl)-1-phenyl-3-[1-(thiophen-2-YL)ethyl]urea
CID 4293943

Frequently Asked Questions

What is the IUPAC name of 1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (CID 3639889) is 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is CC(CC1=CC=CS1)NC(=O)NC2=CC=C(C=C2)F.
What is the InChIKey of 1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is YFPKHIBGCPRLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 278.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 3639889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).