2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C14H20N2O4S — CID 103162025

IUPAC2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOC1CC(CC(=O)NCCc2nc(C(=O)O)cs2)C1
InChIInChI=1S/C14H20N2O4S/c1-2-20-10-5-9(6-10)7-12(17)15-4-3-13-16-11(8-21-13)14(18)19/h8-10H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyOTNVYYYZJMXHEK-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.71
Rot. Bonds8

About 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 103162025) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID103162025
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOC1CC(CC(=O)NCCc2nc(C(=O)O)cs2)C1
InChIInChI=1S/C14H20N2O4S/c1-2-20-10-5-9(6-10)7-12(17)15-4-3-13-16-11(8-21-13)14(18)19/h8-10H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyOTNVYYYZJMXHEK-UHFFFAOYSA-N
XLogP1.71
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374838
2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 110461569
2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 79291389
2-[2-(cyclobutylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374104
2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374025
2-[2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374539
2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374035
2-[2-(2-methylpropoxycarbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373321
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
2-[2-[[cyclopropylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373922
2-[2-[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373206
2-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375396

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 103162025) is 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CCOC1CC(CC(=O)NCCc2nc(C(=O)O)cs2)C1.
What is the InChIKey of 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OTNVYYYZJMXHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-20-10-5-9(6-10)7-12(17)15-4-3-13-16-11(8-21-13)14(18)19/h8-10H,2-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103162025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).