methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate

C13H20N2O2S — CID 62026007

IUPACmethyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1Cc1csc(C)n1
InChIInChI=1S/C13H20N2O2S/c1-10-14-11(9-18-10)8-15-6-4-3-5-12(15)7-13(16)17-2/h9,12H,3-8H2,1-2H3
InChIKeyKLFBUAORNCVNHI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.37
Rot. Bonds4

About methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate

methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate (PubChem CID 62026007) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
PubChem CID62026007
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1Cc1csc(C)n1
InChIInChI=1S/C13H20N2O2S/c1-10-14-11(9-18-10)8-15-6-4-3-5-12(15)7-13(16)17-2/h9,12H,3-8H2,1-2H3
InChIKeyKLFBUAORNCVNHI-UHFFFAOYSA-N
XLogP2.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62027339
methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate
CID 84593667
methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
CID 62026011
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545015
4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104690534
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490
N-[4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 63250166
2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
CID 126803496
methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 78969714
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124946273

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate (CID 62026007) is methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1Cc1csc(C)n1.
What is the InChIKey of methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate?
The InChIKey is KLFBUAORNCVNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-14-11(9-18-10)8-15-6-4-3-5-12(15)7-13(16)17-2/h9,12H,3-8H2,1-2H3.
What are the key properties of methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate?
methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate has a molecular weight of 268.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 62026007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).