[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate

C17H18N2O5S — CID 8833632

IUPAC[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CCCO3)n2)cc1
InChIInChI=1S/C17H18N2O5S/c1-22-12-6-4-11(5-7-12)13-10-25-17(18-13)19-15(20)9-24-16(21)14-3-2-8-23-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyDCRYZMKJGXOODT-CQSZACIVSA-N
MW362.41 g/mol
LogP2.48
Rot. Bonds6

About [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate (PubChem CID 8833632) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate.

Molecular Properties

Compound Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
PubChem CID8833632
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CCCO3)n2)cc1
InChIInChI=1S/C17H18N2O5S/c1-22-12-6-4-11(5-7-12)13-10-25-17(18-13)19-15(20)9-24-16(21)14-3-2-8-23-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyDCRYZMKJGXOODT-CQSZACIVSA-N
XLogP2.48
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-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-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932197
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23875376
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783695
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065750
(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 868890
(2R)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2576249
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 52985500
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488704
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 3601096
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146490

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate?
The IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate (CID 8833632) is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate.
What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate?
The canonical SMILES for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate is COc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CCCO3)n2)cc1.
What is the InChIKey of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate?
The InChIKey is DCRYZMKJGXOODT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-22-12-6-4-11(5-7-12)13-10-25-17(18-13)19-15(20)9-24-16(21)14-3-2-8-23-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate?
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 8833632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).