[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone

C20H21ClN2O2S — CID 122331293

IUPAC[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O2S/c21-16-5-3-4-14(12-16)20-23(10-11-26-20)19(24)15-8-9-18(22-13-15)25-17-6-1-2-7-17/h3-5,8-9,12-13,17,20H,1-2,6-7,10-11H2
InChIKeyKDIQQBPUVLUWIA-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.94
Rot. Bonds4

About [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone

[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone (PubChem CID 122331293) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone
PubChem CID122331293
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O2S/c21-16-5-3-4-14(12-16)20-23(10-11-26-20)19(24)15-8-9-18(22-13-15)25-17-6-1-2-7-17/h3-5,8-9,12-13,17,20H,1-2,6-7,10-11H2
InChIKeyKDIQQBPUVLUWIA-UHFFFAOYSA-N
XLogP4.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122331337
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 122331258
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
CID 122331182
(2S)-2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 7414110
2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 4142914
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7419009
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 4062642
2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7326995
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone?
The IUPAC name of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone (CID 122331293) is [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone is O=C(c1ccc(OC2CCCC2)nc1)N1CCSC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone?
The InChIKey is KDIQQBPUVLUWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c21-16-5-3-4-14(12-16)20-23(10-11-26-20)19(24)15-8-9-18(22-13-15)25-17-6-1-2-7-17/h3-5,8-9,12-13,17,20H,1-2,6-7,10-11H2.
What are the key properties of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone?
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone has a molecular weight of 388.92 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone is sourced from PubChem (CID 122331293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).