N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C13H19F3N2OS — CID 56786558

IUPACN-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(CC(=O)N(CC(C)(C)C)CC(F)(F)F)cs1
InChIInChI=1S/C13H19F3N2OS/c1-9-17-10(6-20-9)5-11(19)18(7-12(2,3)4)8-13(14,15)16/h6H,5,7-8H2,1-4H3
InChIKeyQBUJMYGOYHHCED-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.43
Rot. Bonds4

About N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56786558) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56786558
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(CC(=O)N(CC(C)(C)C)CC(F)(F)F)cs1
InChIInChI=1S/C13H19F3N2OS/c1-9-17-10(6-20-9)5-11(19)18(7-12(2,3)4)8-13(14,15)16/h6H,5,7-8H2,1-4H3
InChIKeyQBUJMYGOYHHCED-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 56786558) is N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(CC(=O)N(CC(C)(C)C)CC(F)(F)F)cs1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QBUJMYGOYHHCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-9-17-10(6-20-9)5-11(19)18(7-12(2,3)4)8-13(14,15)16/h6H,5,7-8H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 308.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56786558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).