[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate

C19H14N2O5S — CID 2342817

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate
SMILESO=C(COC(=O)c1ccc2c(c1)OCO2)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14N2O5S/c22-17(21-19-20-14(10-27-19)12-4-2-1-3-5-12)9-24-18(23)13-6-7-15-16(8-13)26-11-25-15/h1-8,10H,9,11H2,(H,20,21,22)
InChIKeyWXCRGFIDMAZJHC-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.33
Rot. Bonds5

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate (PubChem CID 2342817) has the molecular formula C19H14N2O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate
PubChem CID2342817
Molecular FormulaC19H14N2O5S
Molecular Weight382.40 g/mol
Exact Mass382.06
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate
SMILESO=C(COC(=O)c1ccc2c(c1)OCO2)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14N2O5S/c22-17(21-19-20-14(10-27-19)12-4-2-1-3-5-12)9-24-18(23)13-6-7-15-16(8-13)26-11-25-15/h1-8,10H,9,11H2,(H,20,21,22)
InChIKeyWXCRGFIDMAZJHC-UHFFFAOYSA-N
XLogP3.33
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate with MolForge

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673339
Ethyl {2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 784187
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2469116
3-(1,3-benzodioxol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acrylamide
CID 1311579
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 2329160
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide
CID 2329165
[2-[[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 2413699
[2-Oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] 3,4-dimethoxybenzoate
CID 2427692
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 4800679
N-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-methoxybenzamide
CID 5159412
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5206092
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4832832

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate (CID 2342817) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate is O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate?
The InChIKey is WXCRGFIDMAZJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5S/c22-17(21-19-20-14(10-27-19)12-4-2-1-3-5-12)9-24-18(23)13-6-7-15-16(8-13)26-11-25-15/h1-8,10H,9,11H2,(H,20,21,22).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate has a molecular weight of 382.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate is sourced from PubChem (CID 2342817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).