4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole

C14H20F3NS — CID 141167692

IUPAC4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole
SMILESCCCc1sc(C2(C(F)(F)F)CCCCC2)nc1C
InChIInChI=1S/C14H20F3NS/c1-3-7-11-10(2)18-12(19-11)13(14(15,16)17)8-5-4-6-9-13/h3-9H2,1-2H3
InChIKeyBDUBAPHLJYSUBR-UHFFFAOYSA-N
MW291.38 g/mol
LogP5.17
Rot. Bonds3

About 4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole

4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole (PubChem CID 141167692) has the molecular formula C14H20F3NS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole
PubChem CID141167692
Molecular FormulaC14H20F3NS
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Name4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole
SMILESCCCc1sc(C2(C(F)(F)F)CCCCC2)nc1C
InChIInChI=1S/C14H20F3NS/c1-3-7-11-10(2)18-12(19-11)13(14(15,16)17)8-5-4-6-9-13/h3-9H2,1-2H3
InChIKeyBDUBAPHLJYSUBR-UHFFFAOYSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole (CID 141167692) is 4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole is CCCc1sc(C2(C(F)(F)F)CCCCC2)nc1C.
What is the InChIKey of 4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
The InChIKey is BDUBAPHLJYSUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NS/c1-3-7-11-10(2)18-12(19-11)13(14(15,16)17)8-5-4-6-9-13/h3-9H2,1-2H3.
What are the key properties of 4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole has a molecular weight of 291.38 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazole is sourced from PubChem (CID 141167692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).