2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C9H11F3N2O2S — CID 82545842

IUPAC2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)C(N)c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C9H11F3N2O2S/c1-3(2)4(13)7-14-6(9(10,11)12)5(17-7)8(15)16/h3-4H,13H2,1-2H3,(H,15,16)
InChIKeyLZXKFRQWDJDSGO-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.52
Rot. Bonds3

About 2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82545842) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82545842
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)C(N)c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C9H11F3N2O2S/c1-3(2)4(13)7-14-6(9(10,11)12)5(17-7)8(15)16/h3-4H,13H2,1-2H3,(H,15,16)
InChIKeyLZXKFRQWDJDSGO-UHFFFAOYSA-N
XLogP2.52
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226722
2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114358550
CID 163255982
CID 163255982
2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 175335366
methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 82115430
2-(4-ethylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82308450
2-(5-chloro-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 107124594
2-[[butyl(methyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82227478
2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114553888
4-(trifluoromethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid
CID 18707900
2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358547
2-[2-(2,2,2-trifluoroethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 103146570

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 82545842) is 2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is CC(C)C(N)c1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LZXKFRQWDJDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-3(2)4(13)7-14-6(9(10,11)12)5(17-7)8(15)16/h3-4H,13H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82545842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).