2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide

C8H9F3N2OS — CID 174382239

IUPAC2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(C(N)=O)c1ncc(C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2OS/c1-2-4(6(12)14)7-13-3-5(15-7)8(9,10)11/h3-4H,2H2,1H3,(H2,12,14)
InChIKeyJQFSWGUGQFKVMC-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.14
Rot. Bonds3

About 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide

2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 174382239) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID174382239
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(C(N)=O)c1ncc(C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2OS/c1-2-4(6(12)14)7-13-3-5(15-7)8(9,10)11/h3-4H,2H2,1H3,(H2,12,14)
InChIKeyJQFSWGUGQFKVMC-UHFFFAOYSA-N
XLogP2.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (CID 174382239) is 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is CCC(C(N)=O)c1ncc(C(F)(F)F)s1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is JQFSWGUGQFKVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-2-4(6(12)14)7-13-3-5(15-7)8(9,10)11/h3-4H,2H2,1H3,(H2,12,14).
What are the key properties of 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 238.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 174382239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).