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

C8H14N4O2S2 — CID 106242108

IUPAC2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide
SMILESCSc1c(N)nsc1NCCOCC(N)=O
InChIInChI=1S/C8H14N4O2S2/c1-15-6-7(10)12-16-8(6)11-2-3-14-4-5(9)13/h11H,2-4H2,1H3,(H2,9,13)(H2,10,12)
InChIKeyRBONZJRUXYXRLI-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.36
Rot. Bonds7

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

2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide (PubChem CID 106242108) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide
PubChem CID106242108
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC Name2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide
SMILESCSc1c(N)nsc1NCCOCC(N)=O
InChIInChI=1S/C8H14N4O2S2/c1-15-6-7(10)12-16-8(6)11-2-3-14-4-5(9)13/h11H,2-4H2,1H3,(H2,9,13)(H2,10,12)
InChIKeyRBONZJRUXYXRLI-UHFFFAOYSA-N
XLogP0.36
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242128
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol
CID 103363776
2-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide
CID 106241467
5-N-[4-(dimethylamino)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360361
5-N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360203
2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide
CID 106239169
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103365033
2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide
CID 106240109
4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103361244
5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360334
5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103362276
4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359997

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide (CID 106242108) is 2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide is CSc1c(N)nsc1NCCOCC(N)=O.
What is the InChIKey of 2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide?
The InChIKey is RBONZJRUXYXRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c1-15-6-7(10)12-16-8(6)11-2-3-14-4-5(9)13/h11H,2-4H2,1H3,(H2,9,13)(H2,10,12).
What are the key properties of 2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide?
2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide has a molecular weight of 262.36 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106242108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).