1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea

C16H23N3O5S — CID 91812706

IUPAC1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCOc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCC1CCCO1
InChIInChI=1S/C16H23N3O5S/c1-23-15-6-5-12(19-7-3-9-25(19,21)22)10-14(15)18-16(20)17-11-13-4-2-8-24-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H2,17,18,20)
InChIKeyNUHZZBIWYUCWAE-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.54
Rot. Bonds5

About 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea

1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 91812706) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID91812706
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCOc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCC1CCCO1
InChIInChI=1S/C16H23N3O5S/c1-23-15-6-5-12(19-7-3-9-25(19,21)22)10-14(15)18-16(20)17-11-13-4-2-8-24-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H2,17,18,20)
InChIKeyNUHZZBIWYUCWAE-UHFFFAOYSA-N
XLogP1.54
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94686442
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 71883148
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea
CID 30375278
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268
3-acetamido-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propanamide
CID 110421393
1-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 100674947
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 29138842
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide
CID 44901585
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968511
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 7483289

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea (CID 91812706) is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea is COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCC1CCCO1.
What is the InChIKey of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is NUHZZBIWYUCWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-23-15-6-5-12(19-7-3-9-25(19,21)22)10-14(15)18-16(20)17-11-13-4-2-8-24-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea?
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 369.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 91812706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).