4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid

C9H13N3O3S — CID 43151811

IUPAC4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCc1nnsc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H13N3O3S/c1-6-8(16-11-10-6)9(15)12(2)5-3-4-7(13)14/h3-5H2,1-2H3,(H,13,14)
InChIKeyMUJBEPXVHNAJMA-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.78
Rot. Bonds5

About 4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid

4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid (PubChem CID 43151811) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
PubChem CID43151811
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCc1nnsc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H13N3O3S/c1-6-8(16-11-10-6)9(15)12(2)5-3-4-7(13)14/h3-5H2,1-2H3,(H,13,14)
InChIKeyMUJBEPXVHNAJMA-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid (CID 43151811) is 4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid is Cc1nnsc1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is MUJBEPXVHNAJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-6-8(16-11-10-6)9(15)12(2)5-3-4-7(13)14/h3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid?
4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 243.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43151811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).