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

C8H10F3N3OS — CID 49470389

IUPAC1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCc1nccs1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)5-14-7(15)13-2-1-6-12-3-4-16-6/h3-4H,1-2,5H2,(H2,13,14,15)
InChIKeyJRLJWCCRVVIMLP-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.55
Rot. Bonds4

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

1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 49470389) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID49470389
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCc1nccs1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)5-14-7(15)13-2-1-6-12-3-4-16-6/h3-4H,1-2,5H2,(H2,13,14,15)
InChIKeyJRLJWCCRVVIMLP-UHFFFAOYSA-N
XLogP1.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 49470389) is 1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCCc1nccs1)NCC(F)(F)F.
What is the InChIKey of 1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is JRLJWCCRVVIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)5-14-7(15)13-2-1-6-12-3-4-16-6/h3-4H,1-2,5H2,(H2,13,14,15).
What are the key properties of 1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 253.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 49470389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).