N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide

C21H23N5OS — CID 166310950

IUPACN-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCN1CCN(c2ccccc2C(=O)N(C)c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C21H23N5OS/c1-24-12-14-26(15-13-24)18-11-7-6-10-17(18)20(27)25(2)21-22-19(23-28-21)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKeyGGCOKOIJTPEXDY-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.23
Rot. Bonds4

About N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide

N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 166310950) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID166310950
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCN1CCN(c2ccccc2C(=O)N(C)c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C21H23N5OS/c1-24-12-14-26(15-13-24)18-11-7-6-10-17(18)20(27)25(2)21-22-19(23-28-21)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKeyGGCOKOIJTPEXDY-UHFFFAOYSA-N
XLogP3.23
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (CID 166310950) is N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is CN1CCN(c2ccccc2C(=O)N(C)c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is GGCOKOIJTPEXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-24-12-14-26(15-13-24)18-11-7-6-10-17(18)20(27)25(2)21-22-19(23-28-21)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 393.52 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperazin-1-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 166310950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).