N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide

C22H24N6O3S — CID 17037039

IUPACN-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnsc2NC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N6O3S/c1-31-18-9-7-16(8-10-18)15-23-20(29)19-21(32-26-25-19)24-22(30)28-13-11-27(12-14-28)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,23,29)(H,24,30)
InChIKeyZIWUJCNTOUDYPL-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.83
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide

N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide (PubChem CID 17037039) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
PubChem CID17037039
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnsc2NC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N6O3S/c1-31-18-9-7-16(8-10-18)15-23-20(29)19-21(32-26-25-19)24-22(30)28-13-11-27(12-14-28)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,23,29)(H,24,30)
InChIKeyZIWUJCNTOUDYPL-UHFFFAOYSA-N
XLogP2.83
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-benzylpiperidine-1-carbonyl)thiadiazol-5-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 17037023
4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
CID 17037024
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53370060
N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 17037036
N-[(4-methoxyphenyl)methyl]-5-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]thiadiazole-4-carboxamide
CID 98201755
N-[(4-methoxyphenyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961407
N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35688690
5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid
CID 6917313
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 18285766

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide (CID 17037039) is N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide is COc1ccc(CNC(=O)c2nnsc2NC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The InChIKey is ZIWUJCNTOUDYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-31-18-9-7-16(8-10-18)15-23-20(29)19-21(32-26-25-19)24-22(30)28-13-11-27(12-14-28)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,23,29)(H,24,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide is sourced from PubChem (CID 17037039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).