1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone

C5H3F3N2OS — CID 87904338

IUPAC1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone
SMILESNc1ncc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C5H3F3N2OS/c6-5(7,8)3(11)2-1-10-4(9)12-2/h1H,(H2,9,10)
InChIKeyPTFFLWLTEVAAFS-UHFFFAOYSA-N
MW196.15 g/mol
LogP1.47
Rot. Bonds1

About 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone

1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone (PubChem CID 87904338) has the molecular formula C5H3F3N2OS and a molecular weight of 196.15 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone
PubChem CID87904338
Molecular FormulaC5H3F3N2OS
Molecular Weight196.15 g/mol
Exact Mass195.99
IUPAC Name1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone
SMILESNc1ncc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C5H3F3N2OS/c6-5(7,8)3(11)2-1-10-4(9)12-2/h1H,(H2,9,10)
InChIKeyPTFFLWLTEVAAFS-UHFFFAOYSA-N
XLogP1.47
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone (CID 87904338) is 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone is Nc1ncc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone?
The InChIKey is PTFFLWLTEVAAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2OS/c6-5(7,8)3(11)2-1-10-4(9)12-2/h1H,(H2,9,10).
What are the key properties of 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone?
1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone has a molecular weight of 196.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 87904338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).