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

C18H21N3O3S — CID 30375013

IUPAC1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c1
InChIInChI=1S/C18H21N3O3S/c1-13-5-3-6-15(11-13)19-18(22)20-17-12-16(8-7-14(17)2)21-9-4-10-25(21,23)24/h3,5-8,11-12H,4,9-10H2,1-2H3,(H2,19,20,22)
InChIKeyRFDZKZBNBABZRF-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.49
Rot. Bonds3

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

1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea (PubChem CID 30375013) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea
PubChem CID30375013
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c1
InChIInChI=1S/C18H21N3O3S/c1-13-5-3-6-15(11-13)19-18(22)20-17-12-16(8-7-14(17)2)21-9-4-10-25(21,23)24/h3,5-8,11-12H,4,9-10H2,1-2H3,(H2,19,20,22)
InChIKeyRFDZKZBNBABZRF-UHFFFAOYSA-N
XLogP3.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylphenyl)urea
CID 30375019
methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 121054557
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638850
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]-N-(2-methoxy-5-methylphenyl)oxamide
CID 44901585
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
methyl 4-[[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 44901589
N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
CID 151521075
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 7483183

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea (CID 30375013) is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c1.
What is the InChIKey of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea?
The InChIKey is RFDZKZBNBABZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-5-3-6-15(11-13)19-18(22)20-17-12-16(8-7-14(17)2)21-9-4-10-25(21,23)24/h3,5-8,11-12H,4,9-10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea?
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea has a molecular weight of 359.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 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-(3-methylphenyl)urea is sourced from PubChem (CID 30375013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).