4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide

C20H21N5OS — CID 15978997

IUPAC4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C20H21N5OS/c1-15-7-9-16(10-8-15)18-22-20(27-23-18)25-13-11-24(12-14-25)19(26)21-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,26)
InChIKeyJZURMEWAIKSDNM-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.87
Rot. Bonds3

About 4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide

4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide (PubChem CID 15978997) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
PubChem CID15978997
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C20H21N5OS/c1-15-7-9-16(10-8-15)18-22-20(27-23-18)25-13-11-24(12-14-25)19(26)21-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,26)
InChIKeyJZURMEWAIKSDNM-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
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-m-tolylpiperazine-1-carboxamide
CID 15978868
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
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
4-(3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide
CID 15979251

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide (CID 15978997) is 4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide is Cc1ccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is JZURMEWAIKSDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-15-7-9-16(10-8-15)18-22-20(27-23-18)25-13-11-24(12-14-25)19(26)21-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,26).
What are the key properties of 4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-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 4-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 15978997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).