[(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone

C16H22N2O2S — CID 124595999

IUPAC[(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
SMILESCOc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CSCN3)C2)cc1
InChIInChI=1S/C16H22N2O2S/c1-11-7-13(12-3-5-14(20-2)6-4-12)8-18(11)16(19)15-9-21-10-17-15/h3-6,11,13,15,17H,7-10H2,1-2H3/t11-,13-,15+/m1/s1
InChIKeyOOYZJFIWMDNLNQ-KYOSRNDESA-N
MW306.43 g/mol
LogP2.06
Rot. Bonds3

About [(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone

[(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone (PubChem CID 124595999) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
PubChem CID124595999
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name[(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
SMILESCOc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CSCN3)C2)cc1
InChIInChI=1S/C16H22N2O2S/c1-11-7-13(12-3-5-14(20-2)6-4-12)8-18(11)16(19)15-9-21-10-17-15/h3-6,11,13,15,17H,7-10H2,1-2H3/t11-,13-,15+/m1/s1
InChIKeyOOYZJFIWMDNLNQ-KYOSRNDESA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119331339
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119330951
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119330969
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 125118087
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110803631
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 70921389
(2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid
CID 57185513
N-[1-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280182
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288084
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119313382
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119888302

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone (CID 124595999) is [(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone is COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CSCN3)C2)cc1.
What is the InChIKey of [(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is OOYZJFIWMDNLNQ-KYOSRNDESA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-7-13(12-3-5-14(20-2)6-4-12)8-18(11)16(19)15-9-21-10-17-15/h3-6,11,13,15,17H,7-10H2,1-2H3/t11-,13-,15+/m1/s1.
What are the key properties of [(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
[(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 306.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 124595999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).