ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate

C10H13N3O3S — CID 62071095

IUPACethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C10H13N3O3S/c1-2-16-9(14)5-13(7-3-4-7)10(15)8-6-17-12-11-8/h6-7H,2-5H2,1H3
InChIKeyXPRIJWLBZVKJHO-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.71
Rot. Bonds5

About ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate

ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate (PubChem CID 62071095) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate
PubChem CID62071095
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Nameethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C10H13N3O3S/c1-2-16-9(14)5-13(7-3-4-7)10(15)8-6-17-12-11-8/h6-7H,2-5H2,1H3
InChIKeyXPRIJWLBZVKJHO-UHFFFAOYSA-N
XLogP0.71
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate (CID 62071095) is ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)c1csnn1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate?
The InChIKey is XPRIJWLBZVKJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-16-9(14)5-13(7-3-4-7)10(15)8-6-17-12-11-8/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate?
ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate has a molecular weight of 255.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 62071095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).