2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid

C10H15N3O2S — CID 81160973

IUPAC2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCc1nnc(NCC2(CC(=O)O)CCC2)s1
InChIInChI=1S/C10H15N3O2S/c1-7-12-13-9(16-7)11-6-10(3-2-4-10)5-8(14)15/h2-6H2,1H3,(H,11,13)(H,14,15)
InChIKeyFKNYYHYVHRPDRF-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.90
Rot. Bonds5

About 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81160973) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81160973
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCc1nnc(NCC2(CC(=O)O)CCC2)s1
InChIInChI=1S/C10H15N3O2S/c1-7-12-13-9(16-7)11-6-10(3-2-4-10)5-8(14)15/h2-6H2,1H3,(H,11,13)(H,14,15)
InChIKeyFKNYYHYVHRPDRF-UHFFFAOYSA-N
XLogP1.90
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid (CID 81160973) is 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid is Cc1nnc(NCC2(CC(=O)O)CCC2)s1.
What is the InChIKey of 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is FKNYYHYVHRPDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-12-13-9(16-7)11-6-10(3-2-4-10)5-8(14)15/h2-6H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 241.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81160973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).