2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide

C8H9ClN4O2S — CID 106239605

IUPAC2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide
SMILESN#Cc1sc(NCCOCC(N)=O)nc1Cl
InChIInChI=1S/C8H9ClN4O2S/c9-7-5(3-10)16-8(13-7)12-1-2-15-4-6(11)14/h1-2,4H2,(H2,11,14)(H,12,13)
InChIKeyDFIODHUBSGRRQC-UHFFFAOYSA-N
MW260.71 g/mol
LogP0.58
Rot. Bonds6

About 2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide

2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide (PubChem CID 106239605) has the molecular formula C8H9ClN4O2S and a molecular weight of 260.71 g/mol. Its IUPAC name is 2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide
PubChem CID106239605
Molecular FormulaC8H9ClN4O2S
Molecular Weight260.71 g/mol
Exact Mass260.01
IUPAC Name2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide
SMILESN#Cc1sc(NCCOCC(N)=O)nc1Cl
InChIInChI=1S/C8H9ClN4O2S/c9-7-5(3-10)16-8(13-7)12-1-2-15-4-6(11)14/h1-2,4H2,(H2,11,14)(H,12,13)
InChIKeyDFIODHUBSGRRQC-UHFFFAOYSA-N
XLogP0.58
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide (CID 106239605) is 2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide is N#Cc1sc(NCCOCC(N)=O)nc1Cl.
What is the InChIKey of 2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide?
The InChIKey is DFIODHUBSGRRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S/c9-7-5(3-10)16-8(13-7)12-1-2-15-4-6(11)14/h1-2,4H2,(H2,11,14)(H,12,13).
What are the key properties of 2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide?
2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide has a molecular weight of 260.71 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106239605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).