5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole

C18H26N6S — CID 154582485

IUPAC5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
SMILESCc1nc(N2CCN(c3nc(C4CC4)ns3)CC2)cc(C(C)(C)C)n1
InChIInChI=1S/C18H26N6S/c1-12-19-14(18(2,3)4)11-15(20-12)23-7-9-24(10-8-23)17-21-16(22-25-17)13-5-6-13/h11,13H,5-10H2,1-4H3
InChIKeyNPMFZEPHNMOEJN-UHFFFAOYSA-N
MW358.52 g/mol
LogP3.14
Rot. Bonds3

About 5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole

5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 154582485) has the molecular formula C18H26N6S and a molecular weight of 358.52 g/mol. Its IUPAC name is 5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID154582485
Molecular FormulaC18H26N6S
Molecular Weight358.52 g/mol
Exact Mass358.19
IUPAC Name5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
SMILESCc1nc(N2CCN(c3nc(C4CC4)ns3)CC2)cc(C(C)(C)C)n1
InChIInChI=1S/C18H26N6S/c1-12-19-14(18(2,3)4)11-15(20-12)23-7-9-24(10-8-23)17-21-16(22-25-17)13-5-6-13/h11,13H,5-10H2,1-4H3
InChIKeyNPMFZEPHNMOEJN-UHFFFAOYSA-N
XLogP3.14
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole (CID 154582485) is 5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole is Cc1nc(N2CCN(c3nc(C4CC4)ns3)CC2)cc(C(C)(C)C)n1.
What is the InChIKey of 5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is NPMFZEPHNMOEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6S/c1-12-19-14(18(2,3)4)11-15(20-12)23-7-9-24(10-8-23)17-21-16(22-25-17)13-5-6-13/h11,13H,5-10H2,1-4H3.
What are the key properties of 5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 358.52 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 154582485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).