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

C20H21N5O2S — CID 15978998

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C20H21N5O2S/c1-27-17-9-7-15(8-10-17)18-22-20(28-23-18)25-13-11-24(12-14-25)19(26)21-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,26)
InChIKeyQSTJKXSBASUOCF-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.57
Rot. Bonds4

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

4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide (PubChem CID 15978998) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
PubChem CID15978998
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C20H21N5O2S/c1-27-17-9-7-15(8-10-17)18-22-20(28-23-18)25-13-11-24(12-14-25)19(26)21-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,26)
InChIKeyQSTJKXSBASUOCF-UHFFFAOYSA-N
XLogP3.57
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide (CID 15978998) is 4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide is COc1ccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is QSTJKXSBASUOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-27-17-9-7-15(8-10-17)18-22-20(28-23-18)25-13-11-24(12-14-25)19(26)21-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,26).
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 15978998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).