2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

C8H10F3N3OS2 — CID 43250656

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(N)sc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3OS2/c1-4-6(17-7(12)14-4)16-2-5(15)13-3-8(9,10)11/h2-3H2,1H3,(H2,12,14)(H,13,15)
InChIKeyJJTAPMGDGRECPE-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.80
Rot. Bonds4

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43250656) has the molecular formula C8H10F3N3OS2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43250656
Molecular FormulaC8H10F3N3OS2
Molecular Weight285.32 g/mol
Exact Mass285.02
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(N)sc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3OS2/c1-4-6(17-7(12)14-4)16-2-5(15)13-3-8(9,10)11/h2-3H2,1H3,(H2,12,14)(H,13,15)
InChIKeyJJTAPMGDGRECPE-UHFFFAOYSA-N
XLogP1.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 43250656) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(N)sc1SCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JJTAPMGDGRECPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS2/c1-4-6(17-7(12)14-4)16-2-5(15)13-3-8(9,10)11/h2-3H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 285.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43250656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).