1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea

C19H23N3O4S — CID 30375036

IUPAC1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C19H23N3O4S/c1-3-26-18-8-5-4-7-16(18)20-19(23)21-17-13-15(10-9-14(17)2)22-11-6-12-27(22,24)25/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyGBJHCNKHLVPXPA-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.58
Rot. Bonds5

About 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea

1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea (PubChem CID 30375036) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
PubChem CID30375036
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C19H23N3O4S/c1-3-26-18-8-5-4-7-16(18)20-19(23)21-17-13-15(10-9-14(17)2)22-11-6-12-27(22,24)25/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyGBJHCNKHLVPXPA-UHFFFAOYSA-N
XLogP3.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-4-ethoxybenzamide
CID 7483201
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea
CID 30375013
methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 30374705
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 24594691
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]-N-(2-methoxy-5-methylphenyl)oxamide
CID 44901585
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302299
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
CID 7627594
methyl 4-[[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 44901589
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 55433514

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea (CID 30375036) is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C.
What is the InChIKey of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is GBJHCNKHLVPXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-26-18-8-5-4-7-16(18)20-19(23)21-17-13-15(10-9-14(17)2)22-11-6-12-27(22,24)25/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea?
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 389.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 30375036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).