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

C20H21N5OS — CID 15978872

IUPACN-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1
InChIInChI=1S/C20H21N5OS/c1-15-7-9-17(10-8-15)21-19(26)24-11-13-25(14-12-24)20-22-18(23-27-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,26)
InChIKeyZIJAFLHMNDFNLK-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.87
Rot. Bonds3

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

N-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 15978872) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
PubChem CID15978872
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1
InChIInChI=1S/C20H21N5OS/c1-15-7-9-17(10-8-15)21-19(26)24-11-13-25(14-12-24)20-22-18(23-27-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,26)
InChIKeyZIJAFLHMNDFNLK-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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (CID 15978872) is N-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is ZIJAFLHMNDFNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-15-7-9-17(10-8-15)21-19(26)24-11-13-25(14-12-24)20-22-18(23-27-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,26).
What are the key properties of N-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
N-(4-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-(4-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 15978872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).