4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide

C24H28N8O3S — CID 17037024

IUPAC4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)N3CCN(c4ccccn4)CC3)CC2)cc1
InChIInChI=1S/C24H28N8O3S/c1-35-19-7-5-18(6-8-19)29-10-16-32(17-11-29)24(34)26-22-21(27-28-36-22)23(33)31-14-12-30(13-15-31)20-4-2-3-9-25-20/h2-9H,10-17H2,1H3,(H,26,34)
InChIKeyZTWPFAREAKPSCE-UHFFFAOYSA-N
MW508.61 g/mol
LogP2.26
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide

4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide (PubChem CID 17037024) has the molecular formula C24H28N8O3S and a molecular weight of 508.61 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
PubChem CID17037024
Molecular FormulaC24H28N8O3S
Molecular Weight508.61 g/mol
Exact Mass508.20
IUPAC Name4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)N3CCN(c4ccccn4)CC3)CC2)cc1
InChIInChI=1S/C24H28N8O3S/c1-35-19-7-5-18(6-8-19)29-10-16-32(17-11-29)24(34)26-22-21(27-28-36-22)23(33)31-14-12-30(13-15-31)20-4-2-3-9-25-20/h2-9H,10-17H2,1H3,(H,26,34)
InChIKeyZTWPFAREAKPSCE-UHFFFAOYSA-N
XLogP2.26
TPSA107.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.61
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzylpiperidine-1-carbonyl)thiadiazol-5-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 17037023
N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 17037039
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
CID 20932522
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649513
(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166391089
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 69062932
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 17037036

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide (CID 17037024) is 4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)N3CCN(c4ccccn4)CC3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide?
The InChIKey is ZTWPFAREAKPSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3S/c1-35-19-7-5-18(6-8-19)29-10-16-32(17-11-29)24(34)26-22-21(27-28-36-22)23(33)31-14-12-30(13-15-31)20-4-2-3-9-25-20/h2-9H,10-17H2,1H3,(H,26,34).
What are the key properties of 4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide?
4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide has a molecular weight of 508.61 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide is sourced from PubChem (CID 17037024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).