N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide

C8H8F3N3O2S — CID 147490244

IUPACN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1nccs1
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)7(16)14-2-1-12-5(15)6-13-3-4-17-6/h3-4H,1-2H2,(H,12,15)(H,14,16)
InChIKeyFFJIMMDITXSWCX-UHFFFAOYSA-N
MW267.23 g/mol
LogP0.55
Rot. Bonds4

About N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide

N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 147490244) has the molecular formula C8H8F3N3O2S and a molecular weight of 267.23 g/mol. Its IUPAC name is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide
PubChem CID147490244
Molecular FormulaC8H8F3N3O2S
Molecular Weight267.23 g/mol
Exact Mass267.03
IUPAC NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1nccs1
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)7(16)14-2-1-12-5(15)6-13-3-4-17-6/h3-4H,1-2H2,(H,12,15)(H,14,16)
InChIKeyFFJIMMDITXSWCX-UHFFFAOYSA-N
XLogP0.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide (CID 147490244) is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide is O=C(NCCNC(=O)C(F)(F)F)c1nccs1.
What is the InChIKey of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is FFJIMMDITXSWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2S/c9-8(10,11)7(16)14-2-1-12-5(15)6-13-3-4-17-6/h3-4H,1-2H2,(H,12,15)(H,14,16).
What are the key properties of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide?
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 267.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 147490244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).