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

C17H26FN3O3S — CID 60545734

IUPAC1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea
SMILESCC(C)CCC(C)NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F
InChIInChI=1S/C17H26FN3O3S/c1-12(2)5-6-13(3)19-17(22)20-16-11-14(7-8-15(16)18)21-9-4-10-25(21,23)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,19,20,22)
InChIKeyQKROSFBBNCNJFV-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.31
Rot. Bonds6

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

1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea (PubChem CID 60545734) has the molecular formula C17H26FN3O3S and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea.

Molecular Properties

Compound Name1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea
PubChem CID60545734
Molecular FormulaC17H26FN3O3S
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea
SMILESCC(C)CCC(C)NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F
InChIInChI=1S/C17H26FN3O3S/c1-12(2)5-6-13(3)19-17(22)20-16-11-14(7-8-15(16)18)21-9-4-10-25(21,23)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,19,20,22)
InChIKeyQKROSFBBNCNJFV-UHFFFAOYSA-N
XLogP3.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea with MolForge

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Related Compounds

1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea
CID 60545704
(2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide
CID 94813431
3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 87035677
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 154775332
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-phenylcyclobutane-1-carboxamide
CID 71939158
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
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 75479542
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide
CID 110623153
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 71890029
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylphenyl)urea
CID 30375019

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea?
The IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea (CID 60545734) is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea.
What is the SMILES notation for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea?
The canonical SMILES for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea is CC(C)CCC(C)NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F.
What is the InChIKey of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea?
The InChIKey is QKROSFBBNCNJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S/c1-12(2)5-6-13(3)19-17(22)20-16-11-14(7-8-15(16)18)21-9-4-10-25(21,23)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea?
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea has a molecular weight of 371.48 g/mol, XLogP of 3.31, 6 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-fluorophenyl]-3-(5-methylhexan-2-yl)urea is sourced from PubChem (CID 60545734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).