5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole

C16H16ClN5OS — CID 166243754

IUPAC5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCN1CCN(c2cc(-c3noc(-c4ccsc4Cl)n3)ccn2)CC1
InChIInChI=1S/C16H16ClN5OS/c1-21-5-7-22(8-6-21)13-10-11(2-4-18-13)15-19-16(23-20-15)12-3-9-24-14(12)17/h2-4,9-10H,5-8H2,1H3
InChIKeyMZNUGAOTDANNIQ-UHFFFAOYSA-N
MW361.86 g/mol
LogP3.27
Rot. Bonds3

About 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole

5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 166243754) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID166243754
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCN1CCN(c2cc(-c3noc(-c4ccsc4Cl)n3)ccn2)CC1
InChIInChI=1S/C16H16ClN5OS/c1-21-5-7-22(8-6-21)13-10-11(2-4-18-13)15-19-16(23-20-15)12-3-9-24-14(12)17/h2-4,9-10H,5-8H2,1H3
InChIKeyMZNUGAOTDANNIQ-UHFFFAOYSA-N
XLogP3.27
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 155952563
4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597501
5-(3,4-difluorophenyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
CID 99033707
4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597491
3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 136531288
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine
CID 56770198
2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 86806468
1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770168
2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 11992804
3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 155948851
6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57386137
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole (CID 166243754) is 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole is CN1CCN(c2cc(-c3noc(-c4ccsc4Cl)n3)ccn2)CC1.
What is the InChIKey of 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is MZNUGAOTDANNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c1-21-5-7-22(8-6-21)13-10-11(2-4-18-13)15-19-16(23-20-15)12-3-9-24-14(12)17/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 361.86 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166243754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).