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

C11H15N3O3S — CID 79848305

IUPAC2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCc1nnsc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C11H15N3O3S/c1-2-7-9(18-14-13-7)10(17)12-11(4-3-5-11)6-8(15)16/h2-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyOPXQCMBJIFPTIB-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.23
Rot. Bonds5

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

2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79848305) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79848305
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCc1nnsc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C11H15N3O3S/c1-2-7-9(18-14-13-7)10(17)12-11(4-3-5-11)6-8(15)16/h2-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyOPXQCMBJIFPTIB-UHFFFAOYSA-N
XLogP1.23
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
CID 79848854
4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide
CID 115878220
N-[1-(aminomethyl)cyclopentyl]-4-ethylthiadiazole-5-carboxamide
CID 65210136
1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158582
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-ethylthiadiazole-5-carboxamide
CID 113273214
4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide
CID 77059715
2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 102810261
2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 119217767
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
N-[(1R)-1-cyclopropylethyl]-4-ethylthiadiazole-5-carboxamide
CID 30796558
2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214688

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid (CID 79848305) is 2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid is CCc1nnsc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is OPXQCMBJIFPTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-7-9(18-14-13-7)10(17)12-11(4-3-5-11)6-8(15)16/h2-6H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 269.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).