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

C9H11F3N2O2S — CID 62754856

IUPAC2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCCN(CC(F)(F)F)c1ncc(C(=O)O)s1
InChIInChI=1S/C9H11F3N2O2S/c1-2-3-14(5-9(10,11)12)8-13-4-6(17-8)7(15)16/h4H,2-3,5H2,1H3,(H,15,16)
InChIKeyNGKKDSLKCYKZIC-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.62
Rot. Bonds5

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

2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62754856) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62754856
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCCN(CC(F)(F)F)c1ncc(C(=O)O)s1
InChIInChI=1S/C9H11F3N2O2S/c1-2-3-14(5-9(10,11)12)8-13-4-6(17-8)7(15)16/h4H,2-3,5H2,1H3,(H,15,16)
InChIKeyNGKKDSLKCYKZIC-UHFFFAOYSA-N
XLogP2.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1,3-thiazole-5-carboxylic acid
CID 315243
2-(Morpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 15475835
2-(((Tert-butoxy)carbonyl)(methyl)amino)-1,3-thiazole-5-carboxylic acid
CID 22350419
2-(Pyrrolidin-1-yl)thiazole-5-carboxylic acid
CID 24229715
2-Acetamido-1,3-thiazole-5-carboxylic acid
CID 44118319
2-(Cyclopropylamino)-1,3-thiazole-5-carboxylic acid
CID 54595590
2-(Methylamino)-1,3-thiazole-5-carboxylic acid
CID 57971496
2-(Dimethylamino)-1,3-thiazole-5-carboxylic acid
CID 62753131
2-(2-Methylpropanamido)-1,3-thiazole-5-carboxylic acid
CID 138472962
2-(4-Methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 54595164
2-(4-Methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752431
methyl 2-[(E)-dimethylaminomethylideneamino]-1,3-thiazole-5-carboxylate
CID 59362091

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62754856) is 2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is CCCN(CC(F)(F)F)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is NGKKDSLKCYKZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-2-3-14(5-9(10,11)12)8-13-4-6(17-8)7(15)16/h4H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.26 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62754856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).