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

C16H15ClN2O2S — CID 122329401

IUPAC[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2S/c1-21-14-12(6-4-8-18-14)15(20)19-9-10-22-16(19)11-5-2-3-7-13(11)17/h2-8,16H,9-10H2,1H3
InChIKeyORFCTQHPTSIFLG-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.63
Rot. Bonds3

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

[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 122329401) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID122329401
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2S/c1-21-14-12(6-4-8-18-14)15(20)19-9-10-22-16(19)11-5-2-3-7-13(11)17/h2-8,16H,9-10H2,1H3
InChIKeyORFCTQHPTSIFLG-UHFFFAOYSA-N
XLogP3.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone (CID 122329401) is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCSC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is ORFCTQHPTSIFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-21-14-12(6-4-8-18-14)15(20)19-9-10-22-16(19)11-5-2-3-7-13(11)17/h2-8,16H,9-10H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone?
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 334.83 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 122329401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).