4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid

C11H17N3O3S — CID 60825087

IUPAC4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCc1nnsc1C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C11H17N3O3S/c1-7(2)14(6-4-5-9(15)16)11(17)10-8(3)12-13-18-10/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyOHWLCZVLLONUJB-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.56
Rot. Bonds6

About 4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid

4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 60825087) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID60825087
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCc1nnsc1C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C11H17N3O3S/c1-7(2)14(6-4-5-9(15)16)11(17)10-8(3)12-13-18-10/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyOHWLCZVLLONUJB-UHFFFAOYSA-N
XLogP1.56
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid (CID 60825087) is 4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid is Cc1nnsc1C(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is OHWLCZVLLONUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(2)14(6-4-5-9(15)16)11(17)10-8(3)12-13-18-10/h7H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60825087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).