(2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone

C16H16N2O2S — CID 122329222

IUPAC(2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
SMILESCOc1ncccc1C(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-13(8-5-9-17-14)15(19)18-10-11-21-16(18)12-6-3-2-4-7-12/h2-9,16H,10-11H2,1H3
InChIKeyYHVJIFAYJFNFBH-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.98
Rot. Bonds3

About (2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone

(2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122329222) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122329222
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
SMILESCOc1ncccc1C(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-13(8-5-9-17-14)15(19)18-10-11-21-16(18)12-6-3-2-4-7-12/h2-9,16H,10-11H2,1H3
InChIKeyYHVJIFAYJFNFBH-UHFFFAOYSA-N
XLogP2.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122331438
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122329401
(2-methoxy-3-pyridinyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122270172
2-[(2R)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 36687936
(2-chlorophenyl)-[(2R)-2-pyridin-3-yl-1,3-thiazolidin-3-yl]methanone
CID 815814
(2S,4R)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 55259968
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
2-[2-(4-bromophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 44785158
2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 748319
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 102737995
[7-(2-fluorophenyl)-1,4-thiazepan-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 90630052

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone (CID 122329222) is (2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone is COc1ncccc1C(=O)N1CCSC1c1ccccc1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is YHVJIFAYJFNFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-14-13(8-5-9-17-14)15(19)18-10-11-21-16(18)12-6-3-2-4-7-12/h2-9,16H,10-11H2,1H3.
What are the key properties of (2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
(2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 300.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122329222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).