[4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone

C18H22N6O2S — CID 110385204

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nn3c(C(C)C)nnc3s2)CC1
InChIInChI=1S/C18H22N6O2S/c1-12(2)15-19-20-18-24(15)21-16(27-18)17(25)23-10-8-22(9-11-23)13-6-4-5-7-14(13)26-3/h4-7,12H,8-11H2,1-3H3
InChIKeyMIBPSMOOYWDEMN-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.28
Rot. Bonds4

About [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone (PubChem CID 110385204) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
PubChem CID110385204
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nn3c(C(C)C)nnc3s2)CC1
InChIInChI=1S/C18H22N6O2S/c1-12(2)15-19-20-18-24(15)21-16(27-18)17(25)23-10-8-22(9-11-23)13-6-4-5-7-14(13)26-3/h4-7,12H,8-11H2,1-3H3
InChIKeyMIBPSMOOYWDEMN-UHFFFAOYSA-N
XLogP2.28
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone with MolForge

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Related Compounds

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[4-(2-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
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(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 17224606
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
CID 110384861
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46547494
6-(2,6-dimethoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 39353991
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2741374
4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
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3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone (CID 110385204) is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone is COc1ccccc1N1CCN(C(=O)c2nn3c(C(C)C)nnc3s2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The InChIKey is MIBPSMOOYWDEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-12(2)15-19-20-18-24(15)21-16(27-18)17(25)23-10-8-22(9-11-23)13-6-4-5-7-14(13)26-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone has a molecular weight of 386.48 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone is sourced from PubChem (CID 110385204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).