1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea

C13H13FN2OS — CID 3700183

IUPAC1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccc(F)cc1)NCc1cccs1
InChIInChI=1S/C13H13FN2OS/c14-11-5-3-10(4-6-11)8-15-13(17)16-9-12-2-1-7-18-12/h1-7H,8-9H2,(H2,15,16,17)
InChIKeyJGYBUBMLMUTYFB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.89
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea

1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 3700183) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID3700183
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccc(F)cc1)NCc1cccs1
InChIInChI=1S/C13H13FN2OS/c14-11-5-3-10(4-6-11)8-15-13(17)16-9-12-2-1-7-18-12/h1-7H,8-9H2,(H2,15,16,17)
InChIKeyJGYBUBMLMUTYFB-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134061161
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 60572861
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529201
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
1-[(4-fluorophenyl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 51291099
N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 42335583
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 9374254
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 87022154

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea (CID 3700183) is 1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1ccc(F)cc1)NCc1cccs1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is JGYBUBMLMUTYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c14-11-5-3-10(4-6-11)8-15-13(17)16-9-12-2-1-7-18-12/h1-7H,8-9H2,(H2,15,16,17).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea?
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 264.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 3700183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).