4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide

C18H18N6OS — CID 15979250

IUPAC4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C18H18N6OS/c25-17(20-15-8-4-5-9-19-15)23-10-12-24(13-11-23)18-21-16(22-26-18)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20,25)
InChIKeyUYWCZYFLJYOJPZ-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.95
Rot. Bonds3

About 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide

4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 15979250) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID15979250
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C18H18N6OS/c25-17(20-15-8-4-5-9-19-15)23-10-12-24(13-11-23)18-21-16(22-26-18)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20,25)
InChIKeyUYWCZYFLJYOJPZ-UHFFFAOYSA-N
XLogP2.95
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide (CID 15979250) is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide is O=C(Nc1ccccn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is UYWCZYFLJYOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c25-17(20-15-8-4-5-9-19-15)23-10-12-24(13-11-23)18-21-16(22-26-18)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20,25).
What are the key properties of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide?
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 15979250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).