(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone

C20H22ClNOS — CID 7419009

IUPAC(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCCCCc1ccc(C(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H22ClNOS/c1-2-3-5-15-8-10-16(11-9-15)19(23)22-12-13-24-20(22)17-6-4-7-18(21)14-17/h4,6-11,14,20H,2-3,5,12-13H2,1H3/t20-/m1/s1
InChIKeyAIEREZJVQQDYIC-HXUWFJFHSA-N
MW359.92 g/mol
LogP5.57
Rot. Bonds5

About (4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone

(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 7419009) has the molecular formula C20H22ClNOS and a molecular weight of 359.92 g/mol. Its IUPAC name is (4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID7419009
Molecular FormulaC20H22ClNOS
Molecular Weight359.92 g/mol
Exact Mass359.11
IUPAC Name(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCCCCc1ccc(C(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H22ClNOS/c1-2-3-5-15-8-10-16(11-9-15)19(23)22-12-13-24-20(22)17-6-4-7-18(21)14-17/h4,6-11,14,20H,2-3,5,12-13H2,1H3/t20-/m1/s1
InChIKeyAIEREZJVQQDYIC-HXUWFJFHSA-N
XLogP5.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.92
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(4-pentylphenyl)methanone
CID 4206772
(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 7360731
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 4062642
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
butyl 3-(4-butylbenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42658113
2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7326995
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 7350573
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
CID 122331182

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone (CID 7419009) is (4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone is CCCCc1ccc(C(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1.
What is the InChIKey of (4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is AIEREZJVQQDYIC-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22ClNOS/c1-2-3-5-15-8-10-16(11-9-15)19(23)22-12-13-24-20(22)17-6-4-7-18(21)14-17/h4,6-11,14,20H,2-3,5,12-13H2,1H3/t20-/m1/s1.
What are the key properties of (4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone?
(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 359.92 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 7419009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).