ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate

C13H18N2O4S — CID 116697927

IUPACethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NCC2CCCOC2)cs1
InChIInChI=1S/C13H18N2O4S/c1-2-19-13(17)12-15-10(8-20-12)11(16)14-6-9-4-3-5-18-7-9/h8-9H,2-7H2,1H3,(H,14,16)
InChIKeySVJZJBCKOXUUHS-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.48
Rot. Bonds5

About ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate

ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate (PubChem CID 116697927) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate
PubChem CID116697927
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Nameethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NCC2CCCOC2)cs1
InChIInChI=1S/C13H18N2O4S/c1-2-19-13(17)12-15-10(8-20-12)11(16)14-6-9-4-3-5-18-7-9/h8-9H,2-7H2,1H3,(H,14,16)
InChIKeySVJZJBCKOXUUHS-UHFFFAOYSA-N
XLogP1.48
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate 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-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696975
ethyl 4-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116698164
ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698196
ethyl 4-(cyclopent-3-en-1-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698257
ethyl 4-[(4-ethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697832
ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 107400437
ethyl 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697992
ethyl 4-[(5-methylfuran-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697972
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
ethyl 4-(3-methylbut-2-enylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106197397
ethyl 4-[(5-methylthiophen-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697952
ethyl 4-[2-(diethylamino)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697620

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate (CID 116697927) is ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)NCC2CCCOC2)cs1.
What is the InChIKey of ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate?
The InChIKey is SVJZJBCKOXUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-2-19-13(17)12-15-10(8-20-12)11(16)14-6-9-4-3-5-18-7-9/h8-9H,2-7H2,1H3,(H,14,16).
What are the key properties of ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116697927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).