1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

C15H13F3N2OS — CID 2823812

IUPAC1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NC=Cc1cccs1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2OS/c16-15(17,18)12-5-3-11(4-6-12)10-20-14(21)19-8-7-13-2-1-9-22-13/h1-9H,10H2,(H2,19,20,21)
InChIKeyQJVNVLCSKICFTL-UHFFFAOYSA-N
MW326.34 g/mol
LogP4.24
Rot. Bonds4

About 1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 2823812) has the molecular formula C15H13F3N2OS and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID2823812
Molecular FormulaC15H13F3N2OS
Molecular Weight326.34 g/mol
Exact Mass326.07
IUPAC Name1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NC=Cc1cccs1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2OS/c16-15(17,18)12-5-3-11(4-6-12)10-20-14(21)19-8-7-13-2-1-9-22-13/h1-9H,10H2,(H2,19,20,21)
InChIKeyQJVNVLCSKICFTL-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-3-(thiophen-2-ylmethyl)urea
CID 858197
N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325846
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
1-[(3-Methylthiophen-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2811526
1-(3-Phenylpropyl)-3-(thiophen-2-ylmethyl)urea
CID 47125977
1-(3-Phenylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 47134017
1-[(2,5-Difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 3522094
1-[(4-Methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 3737051
1-(2-Phenylethyl)-3-(2-thiophen-2-ylethyl)urea
CID 5189501
1-[(E)-2-thiophen-3-ylethenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 5714320
1-[(E)-2-thiophen-2-ylethenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 5716144
3-[(p-fluorophenyl)methyl]-6-thenylamino-2,4(1H,3H)-pyrimidinedione
CID 6619689

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 2823812) is 1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is O=C(NC=Cc1cccs1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is QJVNVLCSKICFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2OS/c16-15(17,18)12-5-3-11(4-6-12)10-20-14(21)19-8-7-13-2-1-9-22-13/h1-9H,10H2,(H2,19,20,21).
What are the key properties of 1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 326.34 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 2823812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).