1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea

C14H13F3N2OS2 — CID 178016569

IUPAC1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCSc1sc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C14H13F3N2OS2/c1-8-6-11(22-12(8)21-2)19-13(20)18-10-5-3-4-9(7-10)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20)
InChIKeyJOPXJCGPZWKTLY-UHFFFAOYSA-N
MW346.40 g/mol
LogP5.44
Rot. Bonds3

About 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 178016569) has the molecular formula C14H13F3N2OS2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID178016569
Molecular FormulaC14H13F3N2OS2
Molecular Weight346.40 g/mol
Exact Mass346.04
IUPAC Name1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCSc1sc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C14H13F3N2OS2/c1-8-6-11(22-12(8)21-2)19-13(20)18-10-5-3-4-9(7-10)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20)
InChIKeyJOPXJCGPZWKTLY-UHFFFAOYSA-N
XLogP5.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(methyliminomethyl)-5-methylsulfanylthiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 123395797
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082738
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
1-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082295
1-[3-(tert-butylamino)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 146622176
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4180688
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082445

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 178016569) is 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea is CSc1sc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is JOPXJCGPZWKTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS2/c1-8-6-11(22-12(8)21-2)19-13(20)18-10-5-3-4-9(7-10)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 346.40 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-methylsulfanylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 178016569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).