1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

C9H10F3N3OS — CID 116654777

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1nc2c(s1)CCC2
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)4-13-7(16)15-8-14-5-2-1-3-6(5)17-8/h1-4H2,(H2,13,14,15,16)
InChIKeyLZUHNWYHHMDPBF-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.32
Rot. Bonds2

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116654777) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID116654777
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1nc2c(s1)CCC2
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)4-13-7(16)15-8-14-5-2-1-3-6(5)17-8/h1-4H2,(H2,13,14,15,16)
InChIKeyLZUHNWYHHMDPBF-UHFFFAOYSA-N
XLogP2.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 116654777) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is LZUHNWYHHMDPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)4-13-7(16)15-8-14-5-2-1-3-6(5)17-8/h1-4H2,(H2,13,14,15,16).
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 265.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116654777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).