1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

C11H14F3N3OS — CID 136548408

IUPAC1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1(C)CCc2sc(NC(=O)NCC(F)(F)F)nc21
InChIInChI=1S/C11H14F3N3OS/c1-10(2)4-3-6-7(10)16-9(19-6)17-8(18)15-5-11(12,13)14/h3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyWJMJBYZWPNQAAE-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.05
Rot. Bonds2

About 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 136548408) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID136548408
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1(C)CCc2sc(NC(=O)NCC(F)(F)F)nc21
InChIInChI=1S/C11H14F3N3OS/c1-10(2)4-3-6-7(10)16-9(19-6)17-8(18)15-5-11(12,13)14/h3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyWJMJBYZWPNQAAE-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea with MolForge

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Related Compounds

4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-amine
CID 45496802
1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(1R,2R)-2-methylsulfonylcyclohexyl]urea
CID 136582889
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116654777
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide
CID 128859220
Spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine
CID 170352167
N,4-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046749
N-ethyl-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046751
4-methyl-N-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046802
4-methyl-N-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046855
4-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046909
N,4,4-trimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 79863916
N-ethyl-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 79864011

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 136548408) is 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is CC1(C)CCc2sc(NC(=O)NCC(F)(F)F)nc21.
What is the InChIKey of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is WJMJBYZWPNQAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-10(2)4-3-6-7(10)16-9(19-6)17-8(18)15-5-11(12,13)14/h3-5H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 293.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 136548408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).