3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one

C17H22FNOS — CID 4603126

IUPAC3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C17H22FNOS/c18-15-8-6-14(7-9-15)17-19(11-12-21-17)16(20)10-5-13-3-1-2-4-13/h6-9,13,17H,1-5,10-12H2
InChIKeyPRXJZYPJXDQNPN-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.37
Rot. Bonds4

About 3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one

3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 4603126) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID4603126
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC Name3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C17H22FNOS/c18-15-8-6-14(7-9-15)17-19(11-12-21-17)16(20)10-5-13-3-1-2-4-13/h6-9,13,17H,1-5,10-12H2
InChIKeyPRXJZYPJXDQNPN-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
CID 122329471
3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 7283438
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
CID 4163378
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]nonan-1-one
CID 5237084
3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 5011874
3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
CID 3624003
3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4191905
3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330728
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
CID 122330021
methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate
CID 42796946
[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium
CID 11899766
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 4603126) is 3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one is O=C(CCC1CCCC1)N1CCSC1c1ccc(F)cc1.
What is the InChIKey of 3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is PRXJZYPJXDQNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c18-15-8-6-14(7-9-15)17-19(11-12-21-17)16(20)10-5-13-3-1-2-4-13/h6-9,13,17H,1-5,10-12H2.
What are the key properties of 3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 307.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 4603126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).