3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid

C9H13N3O3S — CID 65214500

IUPAC3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)c1csnn1)C(C)CC(=O)O
InChIInChI=1S/C9H13N3O3S/c1-3-12(6(2)4-8(13)14)9(15)7-5-16-11-10-7/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyUAXGHDFXDMQVMY-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.86
Rot. Bonds5

About 3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid

3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid (PubChem CID 65214500) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid
PubChem CID65214500
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)c1csnn1)C(C)CC(=O)O
InChIInChI=1S/C9H13N3O3S/c1-3-12(6(2)4-8(13)14)9(15)7-5-16-11-10-7/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyUAXGHDFXDMQVMY-UHFFFAOYSA-N
XLogP0.86
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid (CID 65214500) is 3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid is CCN(C(=O)c1csnn1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid?
The InChIKey is UAXGHDFXDMQVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-3-12(6(2)4-8(13)14)9(15)7-5-16-11-10-7/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid?
3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid has a molecular weight of 243.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(thiadiazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 65214500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).