3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea

C11H16F3N3OS — CID 122555831

IUPAC3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea
SMILESCCc1nc(C)c(CNC(=O)N(C)CC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3OS/c1-4-9-16-7(2)8(19-9)5-15-10(18)17(3)6-11(12,13)14/h4-6H2,1-3H3,(H,15,18)
InChIKeyBDCLSOZSQHKCFM-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.72
Rot. Bonds4

About 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea

3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 122555831) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea
PubChem CID122555831
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea
SMILESCCc1nc(C)c(CNC(=O)N(C)CC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3OS/c1-4-9-16-7(2)8(19-9)5-15-10(18)17(3)6-11(12,13)14/h4-6H2,1-3H3,(H,15,18)
InChIKeyBDCLSOZSQHKCFM-UHFFFAOYSA-N
XLogP2.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(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 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea (CID 122555831) is 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea is CCc1nc(C)c(CNC(=O)N(C)CC(F)(F)F)s1.
What is the InChIKey of 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is BDCLSOZSQHKCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-4-9-16-7(2)8(19-9)5-15-10(18)17(3)6-11(12,13)14/h4-6H2,1-3H3,(H,15,18).
What are the key properties of 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea?
3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 295.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 122555831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).