N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide

C23H28N6O4S — CID 71212285

IUPACN-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCOc1ccc(C(=O)C2CCN([C@@H]3CCN(CC(=O)Nc4nnc5n4CCS5)C3=O)CC2)cc1
InChIInChI=1S/C23H28N6O4S/c1-33-17-4-2-15(3-5-17)20(31)16-6-9-27(10-7-16)18-8-11-28(21(18)32)14-19(30)24-22-25-26-23-29(22)12-13-34-23/h2-5,16,18H,6-14H2,1H3,(H,24,25,30)/t18-/m1/s1
InChIKeyPADREXIRIZBNMQ-GOSISDBHSA-N
MW484.58 g/mol
LogP1.53
Rot. Bonds7

About N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide

N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 71212285) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide
PubChem CID71212285
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC NameN-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCOc1ccc(C(=O)C2CCN([C@@H]3CCN(CC(=O)Nc4nnc5n4CCS5)C3=O)CC2)cc1
InChIInChI=1S/C23H28N6O4S/c1-33-17-4-2-15(3-5-17)20(31)16-6-9-27(10-7-16)18-8-11-28(21(18)32)14-19(30)24-22-25-26-23-29(22)12-13-34-23/h2-5,16,18H,6-14H2,1H3,(H,24,25,30)/t18-/m1/s1
InChIKeyPADREXIRIZBNMQ-GOSISDBHSA-N
XLogP1.53
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide with MolForge

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Related Compounds

2-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetonitrile
CID 89375796
(3S)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-[(8-oxo-1H-azulen-2-yl)methyl]pyrrolidin-2-one
CID 159348409
4-[[2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 16605975
3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 25473522
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
CID 78898097
2-[3-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoazepan-1-yl]acetic acid
CID 167750028
1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 33365745
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
CID 16605979
N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824394
(4-methoxyphenyl)-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanone
CID 167817734
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide (CID 71212285) is N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide is COc1ccc(C(=O)C2CCN([C@@H]3CCN(CC(=O)Nc4nnc5n4CCS5)C3=O)CC2)cc1.
What is the InChIKey of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is PADREXIRIZBNMQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-33-17-4-2-15(3-5-17)20(31)16-6-9-27(10-7-16)18-8-11-28(21(18)32)14-19(30)24-22-25-26-23-29(22)12-13-34-23/h2-5,16,18H,6-14H2,1H3,(H,24,25,30)/t18-/m1/s1.
What are the key properties of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide?
N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 484.58 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 71212285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).