ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate

C8H10ClN3O3S — CID 80617828

IUPACethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H10ClN3O3S/c1-3-15-7(14)4(2)10-5(13)6-11-12-8(9)16-6/h4H,3H2,1-2H3,(H,10,13)
InChIKeyYWUZKADNZNQQOG-UHFFFAOYSA-N
MW263.71 g/mol
LogP0.87
Rot. Bonds4

About ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate

ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate (PubChem CID 80617828) has the molecular formula C8H10ClN3O3S and a molecular weight of 263.71 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate
PubChem CID80617828
Molecular FormulaC8H10ClN3O3S
Molecular Weight263.71 g/mol
Exact Mass263.01
IUPAC Nameethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H10ClN3O3S/c1-3-15-7(14)4(2)10-5(13)6-11-12-8(9)16-6/h4H,3H2,1-2H3,(H,10,13)
InChIKeyYWUZKADNZNQQOG-UHFFFAOYSA-N
XLogP0.87
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate (CID 80617828) is ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1nnc(Cl)s1.
What is the InChIKey of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate?
The InChIKey is YWUZKADNZNQQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3S/c1-3-15-7(14)4(2)10-5(13)6-11-12-8(9)16-6/h4H,3H2,1-2H3,(H,10,13).
What are the key properties of ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate?
ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate has a molecular weight of 263.71 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]propanoate is sourced from PubChem (CID 80617828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).