5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole

C13H12F3NS — CID 113415724

IUPAC5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCC(C)c1cnc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C13H12F3NS/c1-8(2)11-7-17-12(18-11)9-4-3-5-10(6-9)13(14,15)16/h3-8H,1-2H3
InChIKeyDUOMGVFNIKOWQF-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.95
Rot. Bonds2

About 5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole

5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 113415724) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID113415724
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCC(C)c1cnc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C13H12F3NS/c1-8(2)11-7-17-12(18-11)9-4-3-5-10(6-9)13(14,15)16/h3-8H,1-2H3
InChIKeyDUOMGVFNIKOWQF-UHFFFAOYSA-N
XLogP4.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide
CID 59280479
1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651210
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 22170729
2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole
CID 122594500
N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline
CID 141103753
2,4-bis[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-3-one
CID 152700854
2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole
CID 107504782
[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 66939465
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62403385
N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 55102639

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole (CID 113415724) is 5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole is CC(C)c1cnc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is DUOMGVFNIKOWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c1-8(2)11-7-17-12(18-11)9-4-3-5-10(6-9)13(14,15)16/h3-8H,1-2H3.
What are the key properties of 5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 271.31 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 113415724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).