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

C15H16F3N3OS — CID 56781491

IUPAC1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NCCc1ccccc1C(F)(F)F)c1nccs1
InChIInChI=1S/C15H16F3N3OS/c1-10(13-19-8-9-23-13)21-14(22)20-7-6-11-4-2-3-5-12(11)15(16,17)18/h2-5,8-10H,6-7H2,1H3,(H2,20,21,22)
InChIKeyDPKRLCIAMXHZCE-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.76
Rot. Bonds5

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

1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 56781491) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID56781491
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NCCc1ccccc1C(F)(F)F)c1nccs1
InChIInChI=1S/C15H16F3N3OS/c1-10(13-19-8-9-23-13)21-14(22)20-7-6-11-4-2-3-5-12(11)15(16,17)18/h2-5,8-10H,6-7H2,1H3,(H2,20,21,22)
InChIKeyDPKRLCIAMXHZCE-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea (CID 56781491) is 1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)NCCc1ccccc1C(F)(F)F)c1nccs1.
What is the InChIKey of 1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is DPKRLCIAMXHZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-10(13-19-8-9-23-13)21-14(22)20-7-6-11-4-2-3-5-12(11)15(16,17)18/h2-5,8-10H,6-7H2,1H3,(H2,20,21,22).
What are the key properties of 1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 343.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-2-yl)ethyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 56781491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).