[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C14H20N6OS — CID 71983988

IUPAC[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nsc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C14H20N6OS/c1-9-12(10(2)18(4)16-9)13(21)19-5-7-20(8-6-19)14-15-11(3)17-22-14/h5-8H2,1-4H3
InChIKeyDXVPZUQGMQUYRG-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.16
Rot. Bonds2

About [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 71983988) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID71983988
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nsc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C14H20N6OS/c1-9-12(10(2)18(4)16-9)13(21)19-5-7-20(8-6-19)14-15-11(3)17-22-14/h5-8H2,1-4H3
InChIKeyDXVPZUQGMQUYRG-UHFFFAOYSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 71980627
[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 122340854
(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 121184183
(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 128555097
2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119894207
(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328039
[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 43251610
2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 133332964
[4-(2-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 42153662
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 31912909

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 71983988) is [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nsc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is DXVPZUQGMQUYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-9-12(10(2)18(4)16-9)13(21)19-5-7-20(8-6-19)14-15-11(3)17-22-14/h5-8H2,1-4H3.
What are the key properties of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 320.42 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 71983988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).