[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate

C11H12F3N3O4S — CID 174348732

IUPAC[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
SMILESCC(=O)OCC(NC(=O)C(F)(F)F)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H12F3N3O4S/c1-5-4-22-10(15-5)17-8(19)7(3-21-6(2)18)16-9(20)11(12,13)14/h4,7H,3H2,1-2H3,(H,16,20)(H,15,17,19)
InChIKeyRYBIQKBAOLMBJI-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.00
Rot. Bonds5

About [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate

[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate (PubChem CID 174348732) has the molecular formula C11H12F3N3O4S and a molecular weight of 339.30 g/mol. Its IUPAC name is [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate.

Molecular Properties

Compound Name[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
PubChem CID174348732
Molecular FormulaC11H12F3N3O4S
Molecular Weight339.30 g/mol
Exact Mass339.05
IUPAC Name[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
SMILESCC(=O)OCC(NC(=O)C(F)(F)F)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H12F3N3O4S/c1-5-4-22-10(15-5)17-8(19)7(3-21-6(2)18)16-9(20)11(12,13)14/h4,7H,3H2,1-2H3,(H,16,20)(H,15,17,19)
InChIKeyRYBIQKBAOLMBJI-UHFFFAOYSA-N
XLogP1.00
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate with MolForge

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Related Compounds

2-Acetylamino-3,3,3-trifluoro-2-(4-methyl-thiazol-2-ylamino)-propionic acid methyl ester
CID 3842659
3,3,3-Trifluoro-2-(4-methyl-thiazol-2-ylamino)-2-propionylamino-propionic acid methyl ester
CID 3496405
2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3229599
(2R,3S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 88386666
[(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
CID 142629881
(2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 142629889
2,2,2-trifluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 149924657
[(2R)-3-[(2-methyl-1,3-thiazol-4-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
CID 152209100
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 174347500
3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 174348099
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 174349306
methyl 3,3,3-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-propanamidoalaninate
CID 1717058

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate?
The IUPAC name of [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate (CID 174348732) is [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate.
What is the SMILES notation for [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate?
The canonical SMILES for [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate is CC(=O)OCC(NC(=O)C(F)(F)F)C(=O)Nc1nc(C)cs1.
What is the InChIKey of [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate?
The InChIKey is RYBIQKBAOLMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O4S/c1-5-4-22-10(15-5)17-8(19)7(3-21-6(2)18)16-9(20)11(12,13)14/h4,7H,3H2,1-2H3,(H,16,20)(H,15,17,19).
What are the key properties of [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate?
[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate has a molecular weight of 339.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate is sourced from PubChem (CID 174348732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).