3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole

C16H23N5S — CID 133493081

IUPAC3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1ccnc(N2CCN(c3nc(CC(C)C)ns3)CC2)c1
InChIInChI=1S/C16H23N5S/c1-12(2)10-14-18-16(22-19-14)21-8-6-20(7-9-21)15-11-13(3)4-5-17-15/h4-5,11-12H,6-10H2,1-3H3
InChIKeyFQZYEVBJZNHPMK-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.77
Rot. Bonds4

About 3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole

3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133493081) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133493081
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1ccnc(N2CCN(c3nc(CC(C)C)ns3)CC2)c1
InChIInChI=1S/C16H23N5S/c1-12(2)10-14-18-16(22-19-14)21-8-6-20(7-9-21)15-11-13(3)4-5-17-15/h4-5,11-12H,6-10H2,1-3H3
InChIKeyFQZYEVBJZNHPMK-UHFFFAOYSA-N
XLogP2.77
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133493081) is 3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole is Cc1ccnc(N2CCN(c3nc(CC(C)C)ns3)CC2)c1.
What is the InChIKey of 3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is FQZYEVBJZNHPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-12(2)10-14-18-16(22-19-14)21-8-6-20(7-9-21)15-11-13(3)4-5-17-15/h4-5,11-12H,6-10H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 317.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133493081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).