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

C8H9F3N2OS — CID 151164719

IUPACN-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2OS/c1-2-3-6(14)13-7-12-4-5(15-7)8(9,10)11/h4H,2-3H2,1H3,(H,12,13,14)
InChIKeyNAZUGCNTYWOLET-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.90
Rot. Bonds3

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

N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 151164719) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID151164719
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC NameN-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2OS/c1-2-3-6(14)13-7-12-4-5(15-7)8(9,10)11/h4H,2-3H2,1H3,(H,12,13,14)
InChIKeyNAZUGCNTYWOLET-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (CID 151164719) is N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is NAZUGCNTYWOLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-2-3-6(14)13-7-12-4-5(15-7)8(9,10)11/h4H,2-3H2,1H3,(H,12,13,14).
What are the key properties of N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 238.23 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 151164719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).