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

C8H9F3N2O2S — CID 62765287

IUPAC4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)CC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C8H9F3N2O2S/c1-4-5(6(14)15)16-7(12-4)13(2)3-8(9,10)11/h3H2,1-2H3,(H,14,15)
InChIKeyQTNDPIGDQBBKIT-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.15
Rot. Bonds3

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

4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62765287) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62765287
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)CC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C8H9F3N2O2S/c1-4-5(6(14)15)16-7(12-4)13(2)3-8(9,10)11/h3H2,1-2H3,(H,14,15)
InChIKeyQTNDPIGDQBBKIT-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62765287) is 4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(N(C)CC(F)(F)F)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is QTNDPIGDQBBKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-4-5(6(14)15)16-7(12-4)13(2)3-8(9,10)11/h3H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).