ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate

C10H15N3O3S — CID 54896729

IUPACethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cnns1)C(C)C
InChIInChI=1S/C10H15N3O3S/c1-4-16-9(14)6-13(7(2)3)10(15)8-5-11-12-17-8/h5,7H,4,6H2,1-3H3
InChIKeyMWNKQBAGFUSWFN-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.95
Rot. Bonds5

About ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate

ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate (PubChem CID 54896729) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate
PubChem CID54896729
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nameethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cnns1)C(C)C
InChIInChI=1S/C10H15N3O3S/c1-4-16-9(14)6-13(7(2)3)10(15)8-5-11-12-17-8/h5,7H,4,6H2,1-3H3
InChIKeyMWNKQBAGFUSWFN-UHFFFAOYSA-N
XLogP0.95
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate (CID 54896729) is ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)c1cnns1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate?
The InChIKey is MWNKQBAGFUSWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-4-16-9(14)6-13(7(2)3)10(15)8-5-11-12-17-8/h5,7H,4,6H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate?
ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate has a molecular weight of 257.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(thiadiazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 54896729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).