3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole

C10H12N6S — CID 154883389

IUPAC3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole
SMILESc1cnc(N2CCN(c3cnsn3)CC2)nc1
InChIInChI=1S/C10H12N6S/c1-2-11-10(12-3-1)16-6-4-15(5-7-16)9-8-13-17-14-9/h1-3,8H,4-7H2
InChIKeyHTLODHZPTQRQPD-UHFFFAOYSA-N
MW248.31 g/mol
LogP0.65
Rot. Bonds2

About 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole

3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole (PubChem CID 154883389) has the molecular formula C10H12N6S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole
PubChem CID154883389
Molecular FormulaC10H12N6S
Molecular Weight248.31 g/mol
Exact Mass248.08
IUPAC Name3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole
SMILESc1cnc(N2CCN(c3cnsn3)CC2)nc1
InChIInChI=1S/C10H12N6S/c1-2-11-10(12-3-1)16-6-4-15(5-7-16)9-8-13-17-14-9/h1-3,8H,4-7H2
InChIKeyHTLODHZPTQRQPD-UHFFFAOYSA-N
XLogP0.65
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 59676617
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
CID 126853225
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole
CID 154581141
3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline
CID 70165871
2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
CID 10358975
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
4-pyridin-2-yl-N-(1,2,5-thiadiazol-3-yl)piperazine-1-carboxamide
CID 4236681

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole (CID 154883389) is 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole is c1cnc(N2CCN(c3cnsn3)CC2)nc1.
What is the InChIKey of 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole?
The InChIKey is HTLODHZPTQRQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c1-2-11-10(12-3-1)16-6-4-15(5-7-16)9-8-13-17-14-9/h1-3,8H,4-7H2.
What are the key properties of 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole?
3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole has a molecular weight of 248.31 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 154883389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).