N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide

C8H7F6N3OS — CID 538728

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide
SMILESCC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6N3OS/c1-4(18)16-6(7(9,10)11,8(12,13)14)17-5-15-2-3-19-5/h2-3H,1H3,(H,15,17)(H,16,18)
InChIKeyDESBXVSHODGKMS-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.51
Rot. Bonds3

About N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide

N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide (PubChem CID 538728) has the molecular formula C8H7F6N3OS and a molecular weight of 307.22 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide
PubChem CID538728
Molecular FormulaC8H7F6N3OS
Molecular Weight307.22 g/mol
Exact Mass307.02
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide
SMILESCC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6N3OS/c1-4(18)16-6(7(9,10)11,8(12,13)14)17-5-15-2-3-19-5/h2-3H,1H3,(H,15,17)(H,16,18)
InChIKeyDESBXVSHODGKMS-UHFFFAOYSA-N
XLogP2.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide (CID 538728) is N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide is CC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide?
The InChIKey is DESBXVSHODGKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3OS/c1-4(18)16-6(7(9,10)11,8(12,13)14)17-5-15-2-3-19-5/h2-3H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide?
N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide has a molecular weight of 307.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide is sourced from PubChem (CID 538728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).