5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole

C14H18N6OS — CID 72917691

IUPAC5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCN2c2nc3c(s2)c(C)nn3C)n1
InChIInChI=1S/C14H18N6OS/c1-8-11-12(19(3)17-8)16-14(22-11)20-7-5-4-6-10(20)13-15-9(2)18-21-13/h10H,4-7H2,1-3H3
InChIKeyZBNPXVKPTOGPFR-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.76
Rot. Bonds2

About 5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 72917691) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID72917691
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCN2c2nc3c(s2)c(C)nn3C)n1
InChIInChI=1S/C14H18N6OS/c1-8-11-12(19(3)17-8)16-14(22-11)20-7-5-4-6-10(20)13-15-9(2)18-21-13/h10H,4-7H2,1-3H3
InChIKeyZBNPXVKPTOGPFR-UHFFFAOYSA-N
XLogP2.76
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72885641
3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole
CID 67986572
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine
CID 72923022
1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one
CID 72838541
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
CID 97437728
CID 162193867
CID 162193867
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97436789
5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 56728123
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 72925067

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 72917691) is 5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCCCN2c2nc3c(s2)c(C)nn3C)n1.
What is the InChIKey of 5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is ZBNPXVKPTOGPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-8-11-12(19(3)17-8)16-14(22-11)20-7-5-4-6-10(20)13-15-9(2)18-21-13/h10H,4-7H2,1-3H3.
What are the key properties of 5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 318.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 72917691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).