2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3N3OS — CID 86789746

IUPAC2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cnc(C(C)(C)NCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3OS/c1-7-4-15-9(19-7)10(2,3)17-5-8(18)16-6-11(12,13)14/h4,17H,5-6H2,1-3H3,(H,16,18)
InChIKeyHCOZNSMVQNBWFJ-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.95
Rot. Bonds5

About 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 86789746) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID86789746
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cnc(C(C)(C)NCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3OS/c1-7-4-15-9(19-7)10(2,3)17-5-8(18)16-6-11(12,13)14/h4,17H,5-6H2,1-3H3,(H,16,18)
InChIKeyHCOZNSMVQNBWFJ-UHFFFAOYSA-N
XLogP1.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 86789746) is 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cnc(C(C)(C)NCC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HCOZNSMVQNBWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-7-4-15-9(19-7)10(2,3)17-5-8(18)16-6-11(12,13)14/h4,17H,5-6H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 86789746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).