5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole

C10H12F3NS — CID 166826846

IUPAC5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)[C@H]1C[C@@H]1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NS/c1-5(2)6-3-7(6)8-4-14-9(15-8)10(11,12)13/h4-7H,3H2,1-2H3/t6-,7+/m1/s1
InChIKeyMUIUJNRPAJTARV-RQJHMYQMSA-N
MW235.27 g/mol
LogP3.92
Rot. Bonds2

About 5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole

5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 166826846) has the molecular formula C10H12F3NS and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID166826846
Molecular FormulaC10H12F3NS
Molecular Weight235.27 g/mol
Exact Mass235.06
IUPAC Name5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)[C@H]1C[C@@H]1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NS/c1-5(2)6-3-7(6)8-4-14-9(15-8)10(11,12)13/h4-7H,3H2,1-2H3/t6-,7+/m1/s1
InChIKeyMUIUJNRPAJTARV-RQJHMYQMSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 57698657
2-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736278
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736373
5,5,5-Trifluoro-2-isocyano-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanenitrile
CID 57736381
5-(2,2-Dimethylpropyl)-2-fluoro-1,3-thiazole
CID 59623658
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
2-(1,1-Difluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 66804063
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
2-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006175
2-[(2-Methyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006225
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006361
5-Propan-2-yl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104469986

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole (CID 166826846) is 5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole is CC(C)[C@H]1C[C@@H]1c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is MUIUJNRPAJTARV-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H12F3NS/c1-5(2)6-3-7(6)8-4-14-9(15-8)10(11,12)13/h4-7H,3H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of 5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole?
5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 235.27 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166826846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).