1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea

C10H14F3N3O2S — CID 111455773

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESCCN(CCO)C(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H14F3N3O2S/c1-2-16(3-4-17)9(18)14-5-8-15-7(6-19-8)10(11,12)13/h6,17H,2-5H2,1H3,(H,14,18)
InChIKeyMPDCAWLYOQILRY-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.69
Rot. Bonds5

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

1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (PubChem CID 111455773) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
PubChem CID111455773
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESCCN(CCO)C(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H14F3N3O2S/c1-2-16(3-4-17)9(18)14-5-8-15-7(6-19-8)10(11,12)13/h6,17H,2-5H2,1H3,(H,14,18)
InChIKeyMPDCAWLYOQILRY-UHFFFAOYSA-N
XLogP1.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (CID 111455773) is 1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is CCN(CCO)C(=O)NCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The InChIKey is MPDCAWLYOQILRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-2-16(3-4-17)9(18)14-5-8-15-7(6-19-8)10(11,12)13/h6,17H,2-5H2,1H3,(H,14,18).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea has a molecular weight of 297.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is sourced from PubChem (CID 111455773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).