4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid

C10H15N3O4S — CID 65204601

IUPAC4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)c1nnsc1C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-5(2)7-8(18-13-12-7)9(15)11-6(3-4-14)10(16)17/h5-6,14H,3-4H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyLYVSBVWPQMGDKH-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.23
Rot. Bonds6

About 4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid

4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid (PubChem CID 65204601) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
PubChem CID65204601
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)c1nnsc1C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-5(2)7-8(18-13-12-7)9(15)11-6(3-4-14)10(16)17/h5-6,14H,3-4H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyLYVSBVWPQMGDKH-UHFFFAOYSA-N
XLogP0.23
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid (CID 65204601) is 4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid is CC(C)c1nnsc1C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is LYVSBVWPQMGDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-5(2)7-8(18-13-12-7)9(15)11-6(3-4-14)10(16)17/h5-6,14H,3-4H2,1-2H3,(H,11,15)(H,16,17).
What are the key properties of 4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 65204601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).