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

C6H9ClN4O2S — CID 106240109

IUPAC2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nsnc1Cl
InChIInChI=1S/C6H9ClN4O2S/c7-5-6(11-14-10-5)9-1-2-13-3-4(8)12/h1-3H2,(H2,8,12)(H,9,11)
InChIKeyUJYOOGQFQODQKJ-UHFFFAOYSA-N
MW236.68 g/mol
LogP0.11
Rot. Bonds6

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

2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide (PubChem CID 106240109) has the molecular formula C6H9ClN4O2S and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide
PubChem CID106240109
Molecular FormulaC6H9ClN4O2S
Molecular Weight236.68 g/mol
Exact Mass236.01
IUPAC Name2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nsnc1Cl
InChIInChI=1S/C6H9ClN4O2S/c7-5-6(11-14-10-5)9-1-2-13-3-4(8)12/h1-3H2,(H2,8,12)(H,9,11)
InChIKeyUJYOOGQFQODQKJ-UHFFFAOYSA-N
XLogP0.11
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 50.11
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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Related Compounds

2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240010
2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240012
2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234334
2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239797
4-chloro-N-(3-ethoxypropyl)-1,2,5-thiadiazol-3-amine
CID 43808242
2-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide
CID 106241467
2-[2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242128
2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242108
2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240051
2-[2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242021
2-[2-[(3-amino-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
CID 106234320
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide
CID 113257850

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide (CID 106240109) is 2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide is NC(=O)COCCNc1nsnc1Cl.
What is the InChIKey of 2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide?
The InChIKey is UJYOOGQFQODQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O2S/c7-5-6(11-14-10-5)9-1-2-13-3-4(8)12/h1-3H2,(H2,8,12)(H,9,11).
What are the key properties of 2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide?
2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide has a molecular weight of 236.68 g/mol, XLogP of 0.11, 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-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106240109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).