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

C15H20FN3O3S — CID 60545704

IUPAC1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)NC1CCCC1
InChIInChI=1S/C15H20FN3O3S/c16-13-7-6-12(19-8-3-9-23(19,21)22)10-14(13)18-15(20)17-11-4-1-2-5-11/h6-7,10-11H,1-5,8-9H2,(H2,17,18,20)
InChIKeyWRZRYHGZSDOJGM-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.43
Rot. Bonds3

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

1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea (PubChem CID 60545704) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea
PubChem CID60545704
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)NC1CCCC1
InChIInChI=1S/C15H20FN3O3S/c16-13-7-6-12(19-8-3-9-23(19,21)22)10-14(13)18-15(20)17-11-4-1-2-5-11/h6-7,10-11H,1-5,8-9H2,(H2,17,18,20)
InChIKeyWRZRYHGZSDOJGM-UHFFFAOYSA-N
XLogP2.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.43
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-fluorophenyl]-3-(5-methylhexan-2-yl)urea
CID 60545734
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
(2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide
CID 94813431
N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
CID 7627719
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]-1-phenylcyclobutane-1-carboxamide
CID 71939158
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 154775332
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55442446
1-cyclohexyl-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]urea
CID 112505703
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide
CID 110623153

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea (CID 60545704) is 1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea is O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea?
The InChIKey is WRZRYHGZSDOJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c16-13-7-6-12(19-8-3-9-23(19,21)22)10-14(13)18-15(20)17-11-4-1-2-5-11/h6-7,10-11H,1-5,8-9H2,(H2,17,18,20).
What are the key properties of 1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea?
1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea has a molecular weight of 341.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea is sourced from PubChem (CID 60545704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).