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

C17H16ClNOS — CID 4062642

IUPAC[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNOS/c1-12-5-2-3-8-15(12)16(20)19-9-10-21-17(19)13-6-4-7-14(18)11-13/h2-8,11,17H,9-10H2,1H3
InChIKeyVBZCOWIDRVODMF-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.54
Rot. Bonds2

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

[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone (PubChem CID 4062642) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
PubChem CID4062642
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNOS/c1-12-5-2-3-8-15(12)16(20)19-9-10-21-17(19)13-6-4-7-14(18)11-13/h2-8,11,17H,9-10H2,1H3
InChIKeyVBZCOWIDRVODMF-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(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
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7283655
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122331337
3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
CID 1206009
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 122331258
2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7326995
(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7419009
[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 42781149
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
CID 122331182

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone (CID 4062642) is [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCSC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
The InChIKey is VBZCOWIDRVODMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-12-5-2-3-8-15(12)16(20)19-9-10-21-17(19)13-6-4-7-14(18)11-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone has a molecular weight of 317.84 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 4062642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).