3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole

C18H18N6OS — CID 171679384

IUPAC3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc2cccc(-c3noc(-c4csc(N5CCCCC5)n4)n3)c2n1
InChIInChI=1S/C18H18N6OS/c1-23-10-12-6-5-7-13(15(12)21-23)16-20-17(25-22-16)14-11-26-18(19-14)24-8-3-2-4-9-24/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyHXEKQILVSAWGJO-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.74
Rot. Bonds3

About 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole

3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 171679384) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
PubChem CID171679384
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc2cccc(-c3noc(-c4csc(N5CCCCC5)n4)n3)c2n1
InChIInChI=1S/C18H18N6OS/c1-23-10-12-6-5-7-13(15(12)21-23)16-20-17(25-22-16)14-11-26-18(19-14)24-8-3-2-4-9-24/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyHXEKQILVSAWGJO-UHFFFAOYSA-N
XLogP3.74
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 129303196
4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole
CID 23741861
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493
5-[2-(azepan-1-yl)-1,3-thiazol-4-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82514809
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62786736
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
2-piperidin-1-yl-4-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)propan-2-yl]-1,3-thiazole
CID 27060618
3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole
CID 7602102
5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960912

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole (CID 171679384) is 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole is Cn1cc2cccc(-c3noc(-c4csc(N5CCCCC5)n4)n3)c2n1.
What is the InChIKey of 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is HXEKQILVSAWGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-23-10-12-6-5-7-13(15(12)21-23)16-20-17(25-22-16)14-11-26-18(19-14)24-8-3-2-4-9-24/h5-7,10-11H,2-4,8-9H2,1H3.
What are the key properties of 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 366.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylindazol-7-yl)-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 171679384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).