(4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

C12H13N5OS — CID 977019

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H13N5OS/c18-12(10-9-14-19-15-10)17-7-5-16(6-8-17)11-3-1-2-4-13-11/h1-4,9H,5-8H2
InChIKeyWWDZIUDGOAWEQI-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.90
Rot. Bonds2

About (4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

(4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 977019) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID977019
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H13N5OS/c18-12(10-9-14-19-15-10)17-7-5-16(6-8-17)11-3-1-2-4-13-11/h1-4,9H,5-8H2
InChIKeyWWDZIUDGOAWEQI-UHFFFAOYSA-N
XLogP0.90
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 977019) is (4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is WWDZIUDGOAWEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c18-12(10-9-14-19-15-10)17-7-5-16(6-8-17)11-3-1-2-4-13-11/h1-4,9H,5-8H2.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 275.34 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 977019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).