2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

C10H13F3N2O2S — CID 62765456

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(C)CC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C10H13F3N2O2S/c1-3-4-6-7(8(16)17)18-9(14-6)15(2)5-10(11,12)13/h3-5H2,1-2H3,(H,16,17)
InChIKeyDFFCZTBUIAHYPK-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.79
Rot. Bonds5

About 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765456) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765456
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(C)CC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C10H13F3N2O2S/c1-3-4-6-7(8(16)17)18-9(14-6)15(2)5-10(11,12)13/h3-5H2,1-2H3,(H,16,17)
InChIKeyDFFCZTBUIAHYPK-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 62765456) is 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N(C)CC(F)(F)F)sc1C(=O)O.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DFFCZTBUIAHYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-4-6-7(8(16)17)18-9(14-6)15(2)5-10(11,12)13/h3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).