1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea

C20H19F2N3O3S — CID 56566267

IUPAC1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea
SMILESCC(Cc1c(F)cccc1F)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C20H19F2N3O3S/c1-12(9-15-16(21)3-2-4-17(15)22)23-19(27)24-14-7-5-13(6-8-14)10-25-18(26)11-29-20(25)28/h2-8,12H,9-11H2,1H3,(H2,23,24,27)
InChIKeyOOZSWKCYJNSDOO-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.91
Rot. Bonds6

About 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea

1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea (PubChem CID 56566267) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea
PubChem CID56566267
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC Name1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea
SMILESCC(Cc1c(F)cccc1F)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C20H19F2N3O3S/c1-12(9-15-16(21)3-2-4-17(15)22)23-19(27)24-14-7-5-13(6-8-14)10-25-18(26)11-29-20(25)28/h2-8,12H,9-11H2,1H3,(H2,23,24,27)
InChIKeyOOZSWKCYJNSDOO-UHFFFAOYSA-N
XLogP3.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3,4-dichlorophenyl)ethyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea
CID 56566577
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
1-[1-(3,4-difluorophenyl)ethyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1-methylurea
CID 56566421
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea
CID 56566681
N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide
CID 55819647
1-[(4-chlorophenyl)methyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1-methylurea
CID 56566385
2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride
CID 119311151
1-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]urea
CID 56566514
7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide
CID 119762276
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(4-ethylphenyl)benzamide
CID 31401224
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide
CID 119762304
1-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-[(3-hydroxy-4-methoxyphenyl)methyl]urea
CID 56566227

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea?
The IUPAC name of 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea (CID 56566267) is 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea is CC(Cc1c(F)cccc1F)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea?
The InChIKey is OOZSWKCYJNSDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c1-12(9-15-16(21)3-2-4-17(15)22)23-19(27)24-14-7-5-13(6-8-14)10-25-18(26)11-29-20(25)28/h2-8,12H,9-11H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea?
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea has a molecular weight of 419.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea is sourced from PubChem (CID 56566267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).