4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C14H14F3NS — CID 141123760

IUPAC4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3NS/c1-2-3-4-12-9-19-13(18-12)10-5-7-11(8-6-10)14(15,16)17/h5-9H,2-4H2,1H3
InChIKeyOGAFHFVDPQXPQQ-UHFFFAOYSA-N
MW285.33 g/mol
LogP5.17
Rot. Bonds4

About 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 141123760) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID141123760
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3NS/c1-2-3-4-12-9-19-13(18-12)10-5-7-11(8-6-10)14(15,16)17/h5-9H,2-4H2,1H3
InChIKeyOGAFHFVDPQXPQQ-UHFFFAOYSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.33
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
4-(3-azidopropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 91379508
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
CID 102625963
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7163678
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
ethyl 2-oxo-2-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethylamino]acetate
CID 7163682
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 141123760) is 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is CCCCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is OGAFHFVDPQXPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-2-3-4-12-9-19-13(18-12)10-5-7-11(8-6-10)14(15,16)17/h5-9H,2-4H2,1H3.
What are the key properties of 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 285.33 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 141123760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).