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

C10H13F3N2O2S — CID 62764089

IUPAC4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCCN(CC(F)(F)F)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C10H13F3N2O2S/c1-3-4-15(5-10(11,12)13)9-14-6(2)7(18-9)8(16)17/h3-5H2,1-2H3,(H,16,17)
InChIKeyBYBAGZHPKQFXMD-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.93
Rot. Bonds5

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

4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62764089) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62764089
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCCN(CC(F)(F)F)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C10H13F3N2O2S/c1-3-4-15(5-10(11,12)13)9-14-6(2)7(18-9)8(16)17/h3-5H2,1-2H3,(H,16,17)
InChIKeyBYBAGZHPKQFXMD-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62764089) is 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is CCCN(CC(F)(F)F)c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is BYBAGZHPKQFXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-4-15(5-10(11,12)13)9-14-6(2)7(18-9)8(16)17/h3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62764089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).