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

C16H22N6S — CID 154882614

IUPAC3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nc(C)c(C)c(N2CCN(c3nc(C4CC4)ns3)CC2)n1
InChIInChI=1S/C16H22N6S/c1-10-11(2)17-12(3)18-15(10)21-6-8-22(9-7-21)16-19-14(20-23-16)13-4-5-13/h13H,4-9H2,1-3H3
InChIKeyITZLMQDZGKEOLL-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.46
Rot. Bonds3

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

3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 154882614) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID154882614
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC Name3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nc(C)c(C)c(N2CCN(c3nc(C4CC4)ns3)CC2)n1
InChIInChI=1S/C16H22N6S/c1-10-11(2)17-12(3)18-15(10)21-6-8-22(9-7-21)16-19-14(20-23-16)13-4-5-13/h13H,4-9H2,1-3H3
InChIKeyITZLMQDZGKEOLL-UHFFFAOYSA-N
XLogP2.46
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 155798609
3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133391187
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324
5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 154582485
3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
CID 155798596
3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 121184656
2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 65272318
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine
CID 113283152
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 154829111
5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171993019
5-[4-(6-tert-butyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 154882754

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole (CID 154882614) is 3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole is Cc1nc(C)c(C)c(N2CCN(c3nc(C4CC4)ns3)CC2)n1.
What is the InChIKey of 3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is ITZLMQDZGKEOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-10-11(2)17-12(3)18-15(10)21-6-8-22(9-7-21)16-19-14(20-23-16)13-4-5-13/h13H,4-9H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 330.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 154882614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).