1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one

C14H16N4O2S — CID 155974357

IUPAC1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
SMILESCOc1cc(N2CCN(Cc3cncs3)CC2=O)ccn1
InChIInChI=1S/C14H16N4O2S/c1-20-13-6-11(2-3-16-13)18-5-4-17(9-14(18)19)8-12-7-15-10-21-12/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyQVXIUMUSTNSNPB-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one

1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one (PubChem CID 155974357) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
PubChem CID155974357
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
SMILESCOc1cc(N2CCN(Cc3cncs3)CC2=O)ccn1
InChIInChI=1S/C14H16N4O2S/c1-20-13-6-11(2-3-16-13)18-5-4-17(9-14(18)19)8-12-7-15-10-21-12/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyQVXIUMUSTNSNPB-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxy-4-pyridinyl)-4-(3-phenylprop-2-enyl)piperazin-2-one
CID 171145881
1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 155974547
4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023028
6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 139022978
4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 163343878
4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139022999
4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023042
4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 138988472
4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023373
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 155974492
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one
CID 120905181

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one?
The IUPAC name of 1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one (CID 155974357) is 1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one is COc1cc(N2CCN(Cc3cncs3)CC2=O)ccn1.
What is the InChIKey of 1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one?
The InChIKey is QVXIUMUSTNSNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-20-13-6-11(2-3-16-13)18-5-4-17(9-14(18)19)8-12-7-15-10-21-12/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one?
1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one has a molecular weight of 304.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one is sourced from PubChem (CID 155974357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).