2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H24N4O2S — CID 168858933

IUPAC2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cc(CC2CCCN(Cc3cnc(CC(N)=O)s3)C2)ccn1
InChIInChI=1S/C18H24N4O2S/c1-24-17-8-13(4-5-20-17)7-14-3-2-6-22(11-14)12-15-10-21-18(25-15)9-16(19)23/h4-5,8,10,14H,2-3,6-7,9,11-12H2,1H3,(H2,19,23)
InChIKeyRVWYOGSGTUQJSC-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.03
Rot. Bonds7

About 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 168858933) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID168858933
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cc(CC2CCCN(Cc3cnc(CC(N)=O)s3)C2)ccn1
InChIInChI=1S/C18H24N4O2S/c1-24-17-8-13(4-5-20-17)7-14-3-2-6-22(11-14)12-15-10-21-18(25-15)9-16(19)23/h4-5,8,10,14H,2-3,6-7,9,11-12H2,1H3,(H2,19,23)
InChIKeyRVWYOGSGTUQJSC-UHFFFAOYSA-N
XLogP2.03
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[5-[[6-[(2-methoxy-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629080
2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 175744244
N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146628922
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 95708835
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483
5-[[3-[(6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 139500116
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135233
N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491347
N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55142104
2-[(2-methoxy-4-pyridinyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926333

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 168858933) is 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1cc(CC2CCCN(Cc3cnc(CC(N)=O)s3)C2)ccn1.
What is the InChIKey of 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RVWYOGSGTUQJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-24-17-8-13(4-5-20-17)7-14-3-2-6-22(11-14)12-15-10-21-18(25-15)9-16(19)23/h4-5,8,10,14H,2-3,6-7,9,11-12H2,1H3,(H2,19,23).
What are the key properties of 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 168858933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).