propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate

C15H13F3N2O3S — CID 84555332

IUPACpropan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
SMILESCC(C)OC(=O)c1cccc(NC(=O)c2scnc2C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O3S/c1-8(2)23-14(22)9-4-3-5-10(6-9)20-13(21)11-12(15(16,17)18)19-7-24-11/h3-8H,1-2H3,(H,20,21)
InChIKeySRZUIZRTKHYUBY-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.98
Rot. Bonds4

About propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate

propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate (PubChem CID 84555332) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
PubChem CID84555332
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Namepropan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
SMILESCC(C)OC(=O)c1cccc(NC(=O)c2scnc2C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O3S/c1-8(2)23-14(22)9-4-3-5-10(6-9)20-13(21)11-12(15(16,17)18)19-7-24-11/h3-8H,1-2H3,(H,20,21)
InChIKeySRZUIZRTKHYUBY-UHFFFAOYSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84555128
N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84555350
N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554602
N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554403
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
propan-2-yl 3-(carbamothioylamino)benzoate
CID 82030676
N-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554062
propan-2-yl 3-[(3-nitrobenzoyl)amino]benzoate
CID 23849037
propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550488
propan-2-yl 3-[(2-phenylacetyl)amino]benzoate
CID 23905172
N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560535
methyl 3-(1,3-benzothiazole-6-carbonylamino)benzoate
CID 4797242

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
The IUPAC name of propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate (CID 84555332) is propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
The canonical SMILES for propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate is CC(C)OC(=O)c1cccc(NC(=O)c2scnc2C(F)(F)F)c1.
What is the InChIKey of propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
The InChIKey is SRZUIZRTKHYUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-8(2)23-14(22)9-4-3-5-10(6-9)20-13(21)11-12(15(16,17)18)19-7-24-11/h3-8H,1-2H3,(H,20,21).
What are the key properties of propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate has a molecular weight of 358.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate is sourced from PubChem (CID 84555332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).