1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

C10H13F3N2OS — CID 47376525

IUPAC1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ccc(C(C)NC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2OS/c1-6-3-4-8(17-6)7(2)15-9(16)14-5-10(11,12)13/h3-4,7H,5H2,1-2H3,(H2,14,15,16)
InChIKeyFTYAOQFLXSVSPD-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.98
Rot. Bonds3

About 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47376525) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID47376525
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ccc(C(C)NC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2OS/c1-6-3-4-8(17-6)7(2)15-9(16)14-5-10(11,12)13/h3-4,7H,5H2,1-2H3,(H2,14,15,16)
InChIKeyFTYAOQFLXSVSPD-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 47376525) is 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is Cc1ccc(C(C)NC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is FTYAOQFLXSVSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-6-3-4-8(17-6)7(2)15-9(16)14-5-10(11,12)13/h3-4,7H,5H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 266.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47376525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).