methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate

C13H20N2O2S — CID 84593667

IUPACmethyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1Cc1scnc1C
InChIInChI=1S/C13H20N2O2S/c1-10-12(18-9-14-10)8-15-6-4-3-5-11(15)7-13(16)17-2/h9,11H,3-8H2,1-2H3
InChIKeyOCBJUHSPKNLCSU-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.37
Rot. Bonds4

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

methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate (PubChem CID 84593667) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate
PubChem CID84593667
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1Cc1scnc1C
InChIInChI=1S/C13H20N2O2S/c1-10-12(18-9-14-10)8-15-6-4-3-5-11(15)7-13(16)17-2/h9,11H,3-8H2,1-2H3
InChIKeyOCBJUHSPKNLCSU-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-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62026007
methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
CID 62026011
2-methoxy-N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 63854611
methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62027339
methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61361829
methyl 2-[1-[(4-cyano-2-methylphenyl)methyl]piperidin-2-yl]acetate
CID 114485226
methyl 2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]acetate
CID 83063502
methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 78969714
N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 63847833
ethane;methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)methyl]piperidin-2-yl]acetate
CID 144568176
tert-butyl 2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103698775
methyl 2-[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]acetate
CID 61360606

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate (CID 84593667) is methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1Cc1scnc1C.
What is the InChIKey of methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate?
The InChIKey is OCBJUHSPKNLCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-12(18-9-14-10)8-15-6-4-3-5-11(15)7-13(16)17-2/h9,11H,3-8H2,1-2H3.
What are the key properties of methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate?
methyl 2-[1-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 84593667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).