3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid

C10H15N3O3S — CID 62034461

IUPAC3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCCc1nnsc1C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-4-7-8(17-12-11-7)9(14)13(3)5-6(2)10(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeySWDNIKDOHORPIR-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.89
Rot. Bonds5

About 3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62034461) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID62034461
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCCc1nnsc1C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-4-7-8(17-12-11-7)9(14)13(3)5-6(2)10(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeySWDNIKDOHORPIR-UHFFFAOYSA-N
XLogP0.89
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid (CID 62034461) is 3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid is CCc1nnsc1C(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is SWDNIKDOHORPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-4-7-8(17-12-11-7)9(14)13(3)5-6(2)10(15)16/h6H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 257.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylthiadiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62034461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).