2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid

C10H15N3O3S — CID 65206041

IUPAC2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCCc1nnsc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-4-5-7-8(17-12-11-7)9(14)13(3)6(2)10(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyXGOIKZNKZZHTSZ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.04
Rot. Bonds5

About 2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid

2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 65206041) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID65206041
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCCc1nnsc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-4-5-7-8(17-12-11-7)9(14)13(3)6(2)10(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyXGOIKZNKZZHTSZ-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid (CID 65206041) is 2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid is CCCc1nnsc1C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is XGOIKZNKZZHTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-4-5-7-8(17-12-11-7)9(14)13(3)6(2)10(15)16/h6H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 65206041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).