N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide

C12H17F3N2OS — CID 91788885

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide
SMILESCCC(NC(=O)CCC(F)(F)F)c1nc(C)c(C)s1
InChIInChI=1S/C12H17F3N2OS/c1-4-9(11-16-7(2)8(3)19-11)17-10(18)5-6-12(13,14)15/h9H,4-6H2,1-3H3,(H,17,18)
InChIKeyWXLYNKOIRHTEGG-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.67
Rot. Bonds5

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide (PubChem CID 91788885) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide
PubChem CID91788885
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide
SMILESCCC(NC(=O)CCC(F)(F)F)c1nc(C)c(C)s1
InChIInChI=1S/C12H17F3N2OS/c1-4-9(11-16-7(2)8(3)19-11)17-10(18)5-6-12(13,14)15/h9H,4-6H2,1-3H3,(H,17,18)
InChIKeyWXLYNKOIRHTEGG-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide (CID 91788885) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide is CCC(NC(=O)CCC(F)(F)F)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide?
The InChIKey is WXLYNKOIRHTEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-4-9(11-16-7(2)8(3)19-11)17-10(18)5-6-12(13,14)15/h9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide has a molecular weight of 294.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 91788885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).