N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C18H24N4O2S — CID 120888366

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOCC1(CNC(=O)Cc2csc(-c3cccnc3)n2)CCNCC1
InChIInChI=1S/C18H24N4O2S/c1-24-13-18(4-7-19-8-5-18)12-21-16(23)9-15-11-25-17(22-15)14-3-2-6-20-10-14/h2-3,6,10-11,19H,4-5,7-9,12-13H2,1H3,(H,21,23)
InChIKeyLTUVRQGZNCNOOC-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.88
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 120888366) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID120888366
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOCC1(CNC(=O)Cc2csc(-c3cccnc3)n2)CCNCC1
InChIInChI=1S/C18H24N4O2S/c1-24-13-18(4-7-19-8-5-18)12-21-16(23)9-15-11-25-17(22-15)14-3-2-6-20-10-14/h2-3,6,10-11,19H,4-5,7-9,12-13H2,1H3,(H,21,23)
InChIKeyLTUVRQGZNCNOOC-UHFFFAOYSA-N
XLogP1.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide with MolForge

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 60573524
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120892014
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120888047
N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86911127
N-(3-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193
N-[1-(aminomethyl)cyclopentyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119566846
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 120888366) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is COCC1(CNC(=O)Cc2csc(-c3cccnc3)n2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LTUVRQGZNCNOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-24-13-18(4-7-19-8-5-18)12-21-16(23)9-15-11-25-17(22-15)14-3-2-6-20-10-14/h2-3,6,10-11,19H,4-5,7-9,12-13H2,1H3,(H,21,23).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 120888366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).