1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea

C13H11F3N2OS — CID 2808215

IUPAC1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1csc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H11F3N2OS/c1-8-6-11(20-7-8)18-12(19)17-10-4-2-9(3-5-10)13(14,15)16/h2-7H,1H3,(H2,17,18,19)
InChIKeyPXICKOGZWJTPIR-UHFFFAOYSA-N
MW300.31 g/mol
LogP4.72
Rot. Bonds2

About 1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 2808215) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID2808215
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1csc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H11F3N2OS/c1-8-6-11(20-7-8)18-12(19)17-10-4-2-9(3-5-10)13(14,15)16/h2-7H,1H3,(H2,17,18,19)
InChIKeyPXICKOGZWJTPIR-UHFFFAOYSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylthiophen-2-yl)-3-[4-[(E)-3-[4-piperidin-1-yl-6-(trifluoromethyl)quinolin-2-yl]prop-2-enoyl]phenyl]urea
CID 67015027
1-(2-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
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1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
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CID 108896282
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217
1-(cyanomethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61314990
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
CID 108910439
1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61315174
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 2808215) is 1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea is Cc1csc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is PXICKOGZWJTPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-8-6-11(20-7-8)18-12(19)17-10-4-2-9(3-5-10)13(14,15)16/h2-7H,1H3,(H2,17,18,19).
What are the key properties of 1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 300.31 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2808215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).