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

C9H13N3O3S — CID 62032060

IUPAC2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1nnsc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-4-5-6(16-12-11-5)7(13)10-9(2,3)8(14)15/h4H2,1-3H3,(H,10,13)(H,14,15)
InChIKeyLPMDRDMNUJNKGL-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.69
Rot. Bonds4

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

2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62032060) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62032060
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1nnsc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-4-5-6(16-12-11-5)7(13)10-9(2,3)8(14)15/h4H2,1-3H3,(H,10,13)(H,14,15)
InChIKeyLPMDRDMNUJNKGL-UHFFFAOYSA-N
XLogP0.69
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid (CID 62032060) is 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid is CCc1nnsc1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is LPMDRDMNUJNKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-4-5-6(16-12-11-5)7(13)10-9(2,3)8(14)15/h4H2,1-3H3,(H,10,13)(H,14,15).
What are the key properties of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 243.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62032060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).