2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid

C9H8N4O4S — CID 106406123

IUPAC2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCCc2ncno2)n1
InChIInChI=1S/C9H8N4O4S/c14-7(8-13-5(3-18-8)9(15)16)10-2-1-6-11-4-12-17-6/h3-4H,1-2H2,(H,10,14)(H,15,16)
InChIKeyKCWNWIAJXBSXGN-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.20
Rot. Bonds5

About 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid

2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106406123) has the molecular formula C9H8N4O4S and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106406123
Molecular FormulaC9H8N4O4S
Molecular Weight268.25 g/mol
Exact Mass268.03
IUPAC Name2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCCc2ncno2)n1
InChIInChI=1S/C9H8N4O4S/c14-7(8-13-5(3-18-8)9(15)16)10-2-1-6-11-4-12-17-6/h3-4H,1-2H2,(H,10,14)(H,15,16)
InChIKeyKCWNWIAJXBSXGN-UHFFFAOYSA-N
XLogP0.20
TPSA118.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-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

2-(but-3-enylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697445
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379
4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103743986
2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696744
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608
2-[[(E)-pent-3-enyl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697444
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103873715
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103744039
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 106106169
2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103890610
2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696602
2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696977

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid (CID 106406123) is 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)NCCc2ncno2)n1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is KCWNWIAJXBSXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4S/c14-7(8-13-5(3-18-8)9(15)16)10-2-1-6-11-4-12-17-6/h3-4H,1-2H2,(H,10,14)(H,15,16).
What are the key properties of 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.25 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106406123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).