5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole

C19H24N6OS — CID 71871479

IUPAC5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3cc(-c4nc(C(C)C)no4)ccn3)CC2)cs1
InChIInChI=1S/C19H24N6OS/c1-13(2)18-22-19(26-23-18)15-4-5-20-17(10-15)25-8-6-24(7-9-25)11-16-12-27-14(3)21-16/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyXOUXCZXCRZGNNQ-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.34
Rot. Bonds5

About 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 71871479) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID71871479
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3cc(-c4nc(C(C)C)no4)ccn3)CC2)cs1
InChIInChI=1S/C19H24N6OS/c1-13(2)18-22-19(26-23-18)15-4-5-20-17(10-15)25-8-6-24(7-9-25)11-16-12-27-14(3)21-16/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyXOUXCZXCRZGNNQ-UHFFFAOYSA-N
XLogP3.34
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 133319821
5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133321766
5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369902
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 133321313
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36638093
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976
(2S)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059747
N-(2-piperidin-1-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133316709
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 39985790
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 71871479) is 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1nc(CN2CCN(c3cc(-c4nc(C(C)C)no4)ccn3)CC2)cs1.
What is the InChIKey of 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is XOUXCZXCRZGNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-13(2)18-22-19(26-23-18)15-4-5-20-17(10-15)25-8-6-24(7-9-25)11-16-12-27-14(3)21-16/h4-5,10,12-13H,6-9,11H2,1-3H3.
What are the key properties of 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 384.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 71871479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).