N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C22H27N5O4S — CID 39977948

IUPACN'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCCc1cccc(N2C[C@H](C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CC2=O)c1
InChIInChI=1S/C22H27N5O4S/c1-3-15-5-4-6-17(11-15)27-13-16(12-18(27)28)20(29)24-25-21(30)19-14(2)23-22(32-19)26-7-9-31-10-8-26/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,24,29)(H,25,30)/t16-/m1/s1
InChIKeyPLSZGKZCHYTMTJ-MRXNPFEDSA-N
MW457.56 g/mol
LogP1.66
Rot. Bonds5

About N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 39977948) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID39977948
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC NameN'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCCc1cccc(N2C[C@H](C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CC2=O)c1
InChIInChI=1S/C22H27N5O4S/c1-3-15-5-4-6-17(11-15)27-13-16(12-18(27)28)20(29)24-25-21(30)19-14(2)23-22(32-19)26-7-9-31-10-8-26/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,24,29)(H,25,30)/t16-/m1/s1
InChIKeyPLSZGKZCHYTMTJ-MRXNPFEDSA-N
XLogP1.66
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 39977948) is N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CC2=O)c1.
What is the InChIKey of N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is PLSZGKZCHYTMTJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-3-15-5-4-6-17(11-15)27-13-16(12-18(27)28)20(29)24-25-21(30)19-14(2)23-22(32-19)26-7-9-31-10-8-26/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,24,29)(H,25,30)/t16-/m1/s1.
What are the key properties of N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 457.56 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 39977948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).