4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

C16H22N4OS — CID 172891269

IUPAC4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1cccc(CN2CCN(Cc3csc(C)n3)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-13-17-15(12-22-13)11-20-8-6-19(7-9-20)10-14-4-3-5-16(18-14)21-2/h3-5,12H,6-11H2,1-2H3
InChIKeyUJWWRWOSFMMABC-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.17
Rot. Bonds5

About 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 172891269) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID172891269
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1cccc(CN2CCN(Cc3csc(C)n3)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-13-17-15(12-22-13)11-20-8-6-19(7-9-20)10-14-4-3-5-16(18-14)21-2/h3-5,12H,6-11H2,1-2H3
InChIKeyUJWWRWOSFMMABC-UHFFFAOYSA-N
XLogP2.17
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
4-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 63992936
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 155799116
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine
CID 63992937
1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 111379088
2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile
CID 63984499
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 172891269) is 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is COc1cccc(CN2CCN(Cc3csc(C)n3)CC2)n1.
What is the InChIKey of 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is UJWWRWOSFMMABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-13-17-15(12-22-13)11-20-8-6-19(7-9-20)10-14-4-3-5-16(18-14)21-2/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 318.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 172891269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).