N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide

C8H10F3N3OS — CID 133382394

IUPACN-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H10F3N3OS/c1-5(15)12-2-3-13-7-14-6(4-16-7)8(9,10)11/h4H,2-3H2,1H3,(H,12,15)(H,13,14)
InChIKeyACGKZTVBLJSAJM-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.71
Rot. Bonds4

About N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide

N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide (PubChem CID 133382394) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide
PubChem CID133382394
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H10F3N3OS/c1-5(15)12-2-3-13-7-14-6(4-16-7)8(9,10)11/h4H,2-3H2,1H3,(H,12,15)(H,13,14)
InChIKeyACGKZTVBLJSAJM-UHFFFAOYSA-N
XLogP1.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.71
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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide (CID 133382394) is N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide?
The InChIKey is ACGKZTVBLJSAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-5(15)12-2-3-13-7-14-6(4-16-7)8(9,10)11/h4H,2-3H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide?
N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide has a molecular weight of 253.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 133382394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).