2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid

C9H13N3O3S — CID 79457937

IUPAC2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNc1nc(C2CC2)ns1
InChIInChI=1S/C9H13N3O3S/c13-7(14)5-15-4-3-10-9-11-8(12-16-9)6-1-2-6/h6H,1-5H2,(H,13,14)(H,10,11,12)
InChIKeyVGSIGPNOQXMENP-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.93
Rot. Bonds7

About 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid

2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid (PubChem CID 79457937) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
PubChem CID79457937
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNc1nc(C2CC2)ns1
InChIInChI=1S/C9H13N3O3S/c13-7(14)5-15-4-3-10-9-11-8(12-16-9)6-1-2-6/h6H,1-5H2,(H,13,14)(H,10,11,12)
InChIKeyVGSIGPNOQXMENP-UHFFFAOYSA-N
XLogP0.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.93
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-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]acetic acid
CID 107304390
Ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate
CID 65271740
2-[2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
CID 65276474
Ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65276552
3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65277181
2-[2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79456941
2-[2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79457290
2-[2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79457376
2-[2-[(3-Propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79457384
2-[2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
CID 79457757
2-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658107
2-Methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 106108351

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid (CID 79457937) is 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid is O=C(O)COCCNc1nc(C2CC2)ns1.
What is the InChIKey of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
The InChIKey is VGSIGPNOQXMENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-7(14)5-15-4-3-10-9-11-8(12-16-9)6-1-2-6/h6H,1-5H2,(H,13,14)(H,10,11,12).
What are the key properties of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid has a molecular weight of 243.29 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).