1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

C11H15N3O3S — CID 81361690

IUPAC1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCc1nnsc1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C11H15N3O3S/c1-2-7-8(18-14-13-7)9(15)12-6-11(10(16)17)4-3-5-11/h2-6H2,1H3,(H,12,15)(H,16,17)
InChIKeyJMNRQEGNPDOFKW-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.09
Rot. Bonds5

About 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 81361690) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID81361690
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCc1nnsc1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C11H15N3O3S/c1-2-7-8(18-14-13-7)9(15)12-6-11(10(16)17)4-3-5-11/h2-6H2,1H3,(H,12,15)(H,16,17)
InChIKeyJMNRQEGNPDOFKW-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158582
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-ethylthiadiazole-5-carboxamide
CID 115456007
4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide
CID 115878220
1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311960
N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide
CID 9192834
4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide
CID 113400500
2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
CID 79848305
4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride
CID 120892171
N-[1-(aminomethyl)cyclopentyl]-4-ethylthiadiazole-5-carboxamide
CID 65210136
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544431
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 81361690) is 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is CCc1nnsc1C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is JMNRQEGNPDOFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-7-8(18-14-13-7)9(15)12-6-11(10(16)17)4-3-5-11/h2-6H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81361690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).