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

C16H13ClINOS — CID 122331337

IUPAC[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C16H13ClINOS/c17-13-3-1-2-12(10-13)16-19(8-9-21-16)15(20)11-4-6-14(18)7-5-11/h1-7,10,16H,8-9H2
InChIKeyCTFANHPEWLQZFD-UHFFFAOYSA-N
MW429.71 g/mol
LogP4.83
Rot. Bonds2

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

[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone (PubChem CID 122331337) has the molecular formula C16H13ClINOS and a molecular weight of 429.71 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
PubChem CID122331337
Molecular FormulaC16H13ClINOS
Molecular Weight429.71 g/mol
Exact Mass428.95
IUPAC Name[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C16H13ClINOS/c17-13-3-1-2-12(10-13)16-19(8-9-21-16)15(20)11-4-6-14(18)7-5-11/h1-7,10,16H,8-9H2
InChIKeyCTFANHPEWLQZFD-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.71
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 122331258
(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
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
[(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
[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-iodophenyl)methanone?
The IUPAC name of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone (CID 122331337) is [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone is O=C(c1ccc(I)cc1)N1CCSC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone?
The InChIKey is CTFANHPEWLQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClINOS/c17-13-3-1-2-12(10-13)16-19(8-9-21-16)15(20)11-4-6-14(18)7-5-11/h1-7,10,16H,8-9H2.
What are the key properties of [2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone?
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone has a molecular weight of 429.71 g/mol, XLogP of 4.83, 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]-(4-iodophenyl)methanone is sourced from PubChem (CID 122331337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).