2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C9H11F3N2OS — CID 59634285

IUPAC2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2OS/c1-8(2,3)6(15)14-7-13-5(4-16-7)9(10,11)12/h4H,1-3H3,(H,13,14,15)
InChIKeyHEZMKXOYHGZNNC-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.15
Rot. Bonds1

About 2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 59634285) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID59634285
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2OS/c1-8(2,3)6(15)14-7-13-5(4-16-7)9(10,11)12/h4H,1-3H3,(H,13,14,15)
InChIKeyHEZMKXOYHGZNNC-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 59634285) is 2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(C)(C)C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is HEZMKXOYHGZNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-8(2,3)6(15)14-7-13-5(4-16-7)9(10,11)12/h4H,1-3H3,(H,13,14,15).
What are the key properties of 2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 252.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 59634285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).