methyl 2-(thiadiazole-5-carbonylamino)propanoate

C7H9N3O3S — CID 61037921

IUPACmethyl 2-(thiadiazole-5-carbonylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)c1cnns1
InChIInChI=1S/C7H9N3O3S/c1-4(7(12)13-2)9-6(11)5-3-8-10-14-5/h3-4H,1-2H3,(H,9,11)
InChIKeyDHTZLTDJOFUGAN-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.17
Rot. Bonds3

About methyl 2-(thiadiazole-5-carbonylamino)propanoate

methyl 2-(thiadiazole-5-carbonylamino)propanoate (PubChem CID 61037921) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is methyl 2-(thiadiazole-5-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(thiadiazole-5-carbonylamino)propanoate
PubChem CID61037921
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Namemethyl 2-(thiadiazole-5-carbonylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)c1cnns1
InChIInChI=1S/C7H9N3O3S/c1-4(7(12)13-2)9-6(11)5-3-8-10-14-5/h3-4H,1-2H3,(H,9,11)
InChIKeyDHTZLTDJOFUGAN-UHFFFAOYSA-N
XLogP-0.17
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiadiazole-5-carbonylamino)propanoate?
The IUPAC name of methyl 2-(thiadiazole-5-carbonylamino)propanoate (CID 61037921) is methyl 2-(thiadiazole-5-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-(thiadiazole-5-carbonylamino)propanoate?
The canonical SMILES for methyl 2-(thiadiazole-5-carbonylamino)propanoate is COC(=O)C(C)NC(=O)c1cnns1.
What is the InChIKey of methyl 2-(thiadiazole-5-carbonylamino)propanoate?
The InChIKey is DHTZLTDJOFUGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-4(7(12)13-2)9-6(11)5-3-8-10-14-5/h3-4H,1-2H3,(H,9,11).
What are the key properties of methyl 2-(thiadiazole-5-carbonylamino)propanoate?
methyl 2-(thiadiazole-5-carbonylamino)propanoate has a molecular weight of 215.23 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiadiazole-5-carbonylamino)propanoate is sourced from PubChem (CID 61037921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).