N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

C8H10F3N3OS — CID 82342545

IUPACN-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)c1nc(NC(=O)C(F)(F)F)sc1N
InChIInChI=1S/C8H10F3N3OS/c1-3(2)4-5(12)16-7(13-4)14-6(15)8(9,10)11/h3H,12H2,1-2H3,(H,13,14,15)
InChIKeyWCAZZSXXHHZMDX-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.35
Rot. Bonds2

About N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 82342545) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID82342545
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)c1nc(NC(=O)C(F)(F)F)sc1N
InChIInChI=1S/C8H10F3N3OS/c1-3(2)4-5(12)16-7(13-4)14-6(15)8(9,10)11/h3H,12H2,1-2H3,(H,13,14,15)
InChIKeyWCAZZSXXHHZMDX-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 82342545) is N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is CC(C)c1nc(NC(=O)C(F)(F)F)sc1N.
What is the InChIKey of N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is WCAZZSXXHHZMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-3(2)4-5(12)16-7(13-4)14-6(15)8(9,10)11/h3H,12H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 253.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 82342545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).