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

C15H20N4OS — CID 136537455

IUPAC4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ncccc1CN1CCN(Cc2cscn2)CC1
InChIInChI=1S/C15H20N4OS/c1-20-15-13(3-2-4-16-15)9-18-5-7-19(8-6-18)10-14-11-21-12-17-14/h2-4,11-12H,5-10H2,1H3
InChIKeyOBNGWVBUDAIQHZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.86
Rot. Bonds5

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

4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 136537455) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID136537455
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ncccc1CN1CCN(Cc2cscn2)CC1
InChIInChI=1S/C15H20N4OS/c1-20-15-13(3-2-4-16-15)9-18-5-7-19(8-6-18)10-14-11-21-12-17-14/h2-4,11-12H,5-10H2,1H3
InChIKeyOBNGWVBUDAIQHZ-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-(2-bromoethyl)-4-[(2-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 80667519
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
CID 115537166
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine
CID 22678701
3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine
CID 82701884
4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole
CID 118675977
N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 99838420
(3aS,6aR)-2-[(2-methoxy-3-pyridinyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457922
7-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97404757
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole (CID 136537455) is 4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole is COc1ncccc1CN1CCN(Cc2cscn2)CC1.
What is the InChIKey of 4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OBNGWVBUDAIQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-20-15-13(3-2-4-16-15)9-18-5-7-19(8-6-18)10-14-11-21-12-17-14/h2-4,11-12H,5-10H2,1H3.
What are the key properties of 4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole?
4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 136537455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).