3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C11H14F3N3O2S — CID 174349306

IUPAC3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCc1csc(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)n1
InChIInChI=1S/C11H14F3N3O2S/c1-5(2)7(16-9(19)11(12,13)14)8(18)17-10-15-6(3)4-20-10/h4-5,7H,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyOFCUEIKJOKGHMI-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.09
Rot. Bonds4

About 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide

3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 174349306) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID174349306
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCc1csc(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)n1
InChIInChI=1S/C11H14F3N3O2S/c1-5(2)7(16-9(19)11(12,13)14)8(18)17-10-15-6(3)4-20-10/h4-5,7H,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyOFCUEIKJOKGHMI-UHFFFAOYSA-N
XLogP2.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 174349306) is 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide is Cc1csc(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)n1.
What is the InChIKey of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is OFCUEIKJOKGHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-5(2)7(16-9(19)11(12,13)14)8(18)17-10-15-6(3)4-20-10/h4-5,7H,1-3H3,(H,16,19)(H,15,17,18).
What are the key properties of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 309.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 174349306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).