2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid

C12H17N3O3S — CID 79848854

IUPAC2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCCc1nnsc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H17N3O3S/c1-2-4-8-10(19-15-14-8)11(18)13-12(5-3-6-12)7-9(16)17/h2-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyBBQFSOCFVXQWHF-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.62
Rot. Bonds6

About 2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79848854) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79848854
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCCc1nnsc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H17N3O3S/c1-2-4-8-10(19-15-14-8)11(18)13-12(5-3-6-12)7-9(16)17/h2-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyBBQFSOCFVXQWHF-UHFFFAOYSA-N
XLogP1.62
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid (CID 79848854) is 2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid is CCCc1nnsc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is BBQFSOCFVXQWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-4-8-10(19-15-14-8)11(18)13-12(5-3-6-12)7-9(16)17/h2-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).