2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C11H14N2O4S — CID 116696975

IUPAC2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCC2CCCOC2)n1
InChIInChI=1S/C11H14N2O4S/c14-9(10-13-8(6-18-10)11(15)16)12-4-7-2-1-3-17-5-7/h6-7H,1-5H2,(H,12,14)(H,15,16)
InChIKeyDVYMHJURWMLEGO-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.00
Rot. Bonds4

About 2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116696975) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116696975
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCC2CCCOC2)n1
InChIInChI=1S/C11H14N2O4S/c14-9(10-13-8(6-18-10)11(15)16)12-4-7-2-1-3-17-5-7/h6-7H,1-5H2,(H,12,14)(H,15,16)
InChIKeyDVYMHJURWMLEGO-UHFFFAOYSA-N
XLogP1.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(oxan-3-ylmethylcarbamoyl)-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

ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697927
5-chloro-N-(oxan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625385
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 61019351
2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide
CID 62797681
N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide
CID 47314647
5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631917
6-hydrazinyl-N-(oxan-3-ylmethyl)pyridazine-3-carboxamide
CID 62249832
2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697423
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
2-[3-(cyclopropylamino)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696775
2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697211
2-(but-3-enylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697445

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116696975) is 2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)NCC2CCCOC2)n1.
What is the InChIKey of 2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is DVYMHJURWMLEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-9(10-13-8(6-18-10)11(15)16)12-4-7-2-1-3-17-5-7/h6-7H,1-5H2,(H,12,14)(H,15,16).
What are the key properties of 2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).