5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid

C11H13F3N2O3S — CID 106697132

IUPAC5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(N(CC(F)(F)F)C(C)C)nc1C(=O)O
InChIInChI=1S/C11H13F3N2O3S/c1-5(2)16(4-11(12,13)14)10-15-7(9(18)19)8(20-10)6(3)17/h5H,4H2,1-3H3,(H,18,19)
InChIKeyDVMKFGBXOLWHRH-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.82
Rot. Bonds5

About 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid

5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106697132) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID106697132
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(N(CC(F)(F)F)C(C)C)nc1C(=O)O
InChIInChI=1S/C11H13F3N2O3S/c1-5(2)16(4-11(12,13)14)10-15-7(9(18)19)8(20-10)6(3)17/h5H,4H2,1-3H3,(H,18,19)
InChIKeyDVMKFGBXOLWHRH-UHFFFAOYSA-N
XLogP2.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid (CID 106697132) is 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(N(CC(F)(F)F)C(C)C)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DVMKFGBXOLWHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-5(2)16(4-11(12,13)14)10-15-7(9(18)19)8(20-10)6(3)17/h5H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 310.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).