ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate

C13H18N2O4S — CID 7638850

IUPACethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
SMILESCCOC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C13H18N2O4S/c1-3-19-13(16)14-12-9-11(6-5-10(12)2)15-7-4-8-20(15,17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyAVSKJTIWTAHVCZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.10
Rot. Bonds3

About ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate

ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate (PubChem CID 7638850) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
PubChem CID7638850
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Nameethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
SMILESCCOC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C13H18N2O4S/c1-3-19-13(16)14-12-9-11(6-5-10(12)2)15-7-4-8-20(15,17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyAVSKJTIWTAHVCZ-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849
ethyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627634
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 7483201
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
CID 30375036
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-ethoxybenzamide
CID 7483175
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide
CID 44901585
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylphenyl)urea
CID 30375019
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea
CID 30375013
[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate
CID 7627693
methyl 4-[[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 44901589
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302299
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide
CID 47049367

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate?
The IUPAC name of ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate (CID 7638850) is ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate.
What is the SMILES notation for ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate?
The canonical SMILES for ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate is CCOC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C.
What is the InChIKey of ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate?
The InChIKey is AVSKJTIWTAHVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-3-19-13(16)14-12-9-11(6-5-10(12)2)15-7-4-8-20(15,17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate?
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate has a molecular weight of 298.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate is sourced from PubChem (CID 7638850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).