1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one

C18H20N6O2S — CID 110610717

IUPAC1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nnc(N2CCN(C(=O)CCc3csc(-c4ccccn4)n3)CC2)o1
InChIInChI=1S/C18H20N6O2S/c1-13-21-22-18(26-13)24-10-8-23(9-11-24)16(25)6-5-14-12-27-17(20-14)15-4-2-3-7-19-15/h2-4,7,12H,5-6,8-11H2,1H3
InChIKeyDWRGEQKUQMWLPT-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.18
Rot. Bonds5

About 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 110610717) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
PubChem CID110610717
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nnc(N2CCN(C(=O)CCc3csc(-c4ccccn4)n3)CC2)o1
InChIInChI=1S/C18H20N6O2S/c1-13-21-22-18(26-13)24-10-8-23(9-11-24)16(25)6-5-14-12-27-17(20-14)15-4-2-3-7-19-15/h2-4,7,12H,5-6,8-11H2,1H3
InChIKeyDWRGEQKUQMWLPT-UHFFFAOYSA-N
XLogP2.18
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one with MolForge

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Related Compounds

1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110631362
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 27049046
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110633933
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one
CID 110612137
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419085
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419586
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110627595
1-(4-phenylpiperazin-1-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330015

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one (CID 110610717) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one is Cc1nnc(N2CCN(C(=O)CCc3csc(-c4ccccn4)n3)CC2)o1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is DWRGEQKUQMWLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-13-21-22-18(26-13)24-10-8-23(9-11-24)16(25)6-5-14-12-27-17(20-14)15-4-2-3-7-19-15/h2-4,7,12H,5-6,8-11H2,1H3.
What are the key properties of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one?
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 384.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 110610717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).