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

C19H18ClN5OS — CID 15978999

IUPAC4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(Cl)cc3)ns2)CC1
InChIInChI=1S/C19H18ClN5OS/c20-15-8-6-14(7-9-15)17-22-19(27-23-17)25-12-10-24(11-13-25)18(26)21-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,21,26)
InChIKeyARAUGGCZUKMXPG-UHFFFAOYSA-N
MW399.91 g/mol
LogP4.21
Rot. Bonds3

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

4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide (PubChem CID 15978999) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
PubChem CID15978999
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(Cl)cc3)ns2)CC1
InChIInChI=1S/C19H18ClN5OS/c20-15-8-6-14(7-9-15)17-22-19(27-23-17)25-12-10-24(11-13-25)18(26)21-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,21,26)
InChIKeyARAUGGCZUKMXPG-UHFFFAOYSA-N
XLogP4.21
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide (CID 15978999) is 4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(Cl)cc3)ns2)CC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is ARAUGGCZUKMXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5OS/c20-15-8-6-14(7-9-15)17-22-19(27-23-17)25-12-10-24(11-13-25)18(26)21-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,21,26).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 399.91 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 15978999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).