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

C22H20N6OS2 — CID 44562223

IUPAC4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C22H20N6OS2/c29-21(25-20-23-18(15-30-20)16-7-3-1-4-8-16)27-11-13-28(14-12-27)22-24-19(26-31-22)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,23,25,29)
InChIKeyZRXBBOAIQLVJAU-UHFFFAOYSA-N
MW448.58 g/mol
LogP4.68
Rot. Bonds4

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

4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 44562223) has the molecular formula C22H20N6OS2 and a molecular weight of 448.58 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID44562223
Molecular FormulaC22H20N6OS2
Molecular Weight448.58 g/mol
Exact Mass448.11
IUPAC Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C22H20N6OS2/c29-21(25-20-23-18(15-30-20)16-7-3-1-4-8-16)27-11-13-28(14-12-27)22-24-19(26-31-22)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,23,25,29)
InChIKeyZRXBBOAIQLVJAU-UHFFFAOYSA-N
XLogP4.68
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 44562223) is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)N1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is ZRXBBOAIQLVJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS2/c29-21(25-20-23-18(15-30-20)16-7-3-1-4-8-16)27-11-13-28(14-12-27)22-24-19(26-31-22)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,23,25,29).
What are the key properties of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 448.58 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 44562223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).