N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

C20H21N5OS — CID 15978868

IUPACN-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)c1
InChIInChI=1S/C20H21N5OS/c1-15-6-5-9-17(14-15)21-19(26)24-10-12-25(13-11-24)20-22-18(23-27-20)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,21,26)
InChIKeyXFXQFISQGXIFOP-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.87
Rot. Bonds3

About N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 15978868) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
PubChem CID15978868
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)c1
InChIInChI=1S/C20H21N5OS/c1-15-6-5-9-17(14-15)21-19(26)24-10-12-25(13-11-24)20-22-18(23-27-20)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,21,26)
InChIKeyXFXQFISQGXIFOP-UHFFFAOYSA-N
XLogP3.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Jnj-1661010
CID 2809273
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide
CID 11552354
N-(2-fluorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15979116
N-methyl-2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-amine
CID 509132
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 9931066
N-(3-chlorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15978871
N-(2-(methylthio)phenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15978874
N-phenyl-4-(3-p-tolyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15978997
4-(3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide
CID 15978999
N-(4-chlorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15979117
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-4-yl)piperazine-1-carboxamide
CID 15979249
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 15979250

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (CID 15978868) is N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is XFXQFISQGXIFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-15-6-5-9-17(14-15)21-19(26)24-10-12-25(13-11-24)20-22-18(23-27-20)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,21,26).
What are the key properties of N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 15978868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).