N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide

C8H7F3N2O2S — CID 60731317

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide
SMILESCC(=O)c1csc(NC(=O)CC(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2S/c1-4(14)5-3-16-7(12-5)13-6(15)2-8(9,10)11/h3H,2H2,1H3,(H,12,13,15)
InChIKeyNTRDDMOAKUHYDN-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.24
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide

N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide (PubChem CID 60731317) has the molecular formula C8H7F3N2O2S and a molecular weight of 252.22 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide
PubChem CID60731317
Molecular FormulaC8H7F3N2O2S
Molecular Weight252.22 g/mol
Exact Mass252.02
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide
SMILESCC(=O)c1csc(NC(=O)CC(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2S/c1-4(14)5-3-16-7(12-5)13-6(15)2-8(9,10)11/h3H,2H2,1H3,(H,12,13,15)
InChIKeyNTRDDMOAKUHYDN-UHFFFAOYSA-N
XLogP2.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide (CID 60731317) is N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide is CC(=O)c1csc(NC(=O)CC(F)(F)F)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide?
The InChIKey is NTRDDMOAKUHYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S/c1-4(14)5-3-16-7(12-5)13-6(15)2-8(9,10)11/h3H,2H2,1H3,(H,12,13,15).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide has a molecular weight of 252.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 60731317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).