N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide

C24H28N4O4S2 — CID 3869986

IUPACN-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H28N4O4S2/c1-27(18-8-11-34(31,32)15-18)24(30)21-14-33-23(26-21)16-6-9-28(10-7-16)22(29)12-17-13-25-20-5-3-2-4-19(17)20/h2-5,13-14,16,18,25H,6-12,15H2,1H3
InChIKeyQJGBCRQWTCOWGY-UHFFFAOYSA-N
MW500.65 g/mol
LogP2.83
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 3869986) has the molecular formula C24H28N4O4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID3869986
Molecular FormulaC24H28N4O4S2
Molecular Weight500.65 g/mol
Exact Mass500.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H28N4O4S2/c1-27(18-8-11-34(31,32)15-18)24(30)21-14-33-23(26-21)16-6-9-28(10-7-16)22(29)12-17-13-25-20-5-3-2-4-19(17)20/h2-5,13-14,16,18,25H,6-12,15H2,1H3
InChIKeyQJGBCRQWTCOWGY-UHFFFAOYSA-N
XLogP2.83
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 4992401
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CID 3338138
N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3734688
1-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 3573444
2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3827500
2-[1-[[4-(dimethylamino)phenyl]carbamothioyl]piperidin-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 3795285
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 23113298
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3729178
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CID 23990974
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169394
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
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CID 11570732

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide (CID 3869986) is N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is QJGBCRQWTCOWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S2/c1-27(18-8-11-34(31,32)15-18)24(30)21-14-33-23(26-21)16-6-9-28(10-7-16)22(29)12-17-13-25-20-5-3-2-4-19(17)20/h2-5,13-14,16,18,25H,6-12,15H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 500.65 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3869986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).