2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid

C18H20N2O5S — CID 166597130

IUPAC2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(CN(C(=O)C2CCCO2)c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-24-13-7-5-12(6-8-13)10-20(16(21)15-4-3-9-25-15)18-19-14(11-26-18)17(22)23/h5-8,11,15H,2-4,9-10H2,1H3,(H,22,23)
InChIKeyPCPDRWMIDOZLOF-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.95
Rot. Bonds7

About 2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid

2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 166597130) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID166597130
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(CN(C(=O)C2CCCO2)c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-24-13-7-5-12(6-8-13)10-20(16(21)15-4-3-9-25-15)18-19-14(11-26-18)17(22)23/h5-8,11,15H,2-4,9-10H2,1H3,(H,22,23)
InChIKeyPCPDRWMIDOZLOF-UHFFFAOYSA-N
XLogP2.95
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide
CID 75981701
N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 45227451
2-[[cyclopropyl-[(4-ethoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712750
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541899
(2R)-N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 1395949
(2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 97235832
2-(4-ethoxyphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 108536689
[4-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 52577841
[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95320672
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8720224
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8720144

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid (CID 166597130) is 2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid is CCOc1ccc(CN(C(=O)C2CCCO2)c2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PCPDRWMIDOZLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-2-24-13-7-5-12(6-8-13)10-20(16(21)15-4-3-9-25-15)18-19-14(11-26-18)17(22)23/h5-8,11,15H,2-4,9-10H2,1H3,(H,22,23).
What are the key properties of 2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 376.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 166597130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).