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

C17H16ClNOS2 — CID 122331258

IUPAC[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCSC2c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNOS2/c1-21-15-7-5-12(6-8-15)16(20)19-9-10-22-17(19)13-3-2-4-14(18)11-13/h2-8,11,17H,9-10H2,1H3
InChIKeyPDURHSAAPSYZBI-UHFFFAOYSA-N
MW349.91 g/mol
LogP4.95
Rot. Bonds3

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

[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 122331258) has the molecular formula C17H16ClNOS2 and a molecular weight of 349.91 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID122331258
Molecular FormulaC17H16ClNOS2
Molecular Weight349.91 g/mol
Exact Mass349.04
IUPAC Name[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCSC2c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNOS2/c1-21-15-7-5-12(6-8-15)16(20)19-9-10-22-17(19)13-3-2-4-14(18)11-13/h2-8,11,17H,9-10H2,1H3
InChIKeyPDURHSAAPSYZBI-UHFFFAOYSA-N
XLogP4.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122331337
(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7419009
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
[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
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
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
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
CID 122331182
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(6-cyclopentyloxy-3-pyridinyl)methanone
CID 122331293
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 42781088

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone (CID 122331258) is [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)N2CCSC2c2cccc(Cl)c2)cc1.
What is the InChIKey of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is PDURHSAAPSYZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS2/c1-21-15-7-5-12(6-8-15)16(20)19-9-10-22-17(19)13-3-2-4-14(18)11-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone?
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 349.91 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 122331258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).