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

C10H14F3N3OS — CID 115679377

IUPAC1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCCc1cnc(C(C)NC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-3-7-4-14-8(18-7)6(2)16-9(17)15-5-10(11,12)13/h4,6H,3,5H2,1-2H3,(H2,15,16,17)
InChIKeyJDMIIKLVJWRBGQ-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.63
Rot. Bonds4

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

1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115679377) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID115679377
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCCc1cnc(C(C)NC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-3-7-4-14-8(18-7)6(2)16-9(17)15-5-10(11,12)13/h4,6H,3,5H2,1-2H3,(H2,15,16,17)
InChIKeyJDMIIKLVJWRBGQ-UHFFFAOYSA-N
XLogP2.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 115679377) is 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is CCc1cnc(C(C)NC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is JDMIIKLVJWRBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-3-7-4-14-8(18-7)6(2)16-9(17)15-5-10(11,12)13/h4,6H,3,5H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 281.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115679377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).