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

C15H24N2O2S — CID 62027339

IUPACmethyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
SMILESCCCc1nc(CN2CCCCC2CC(=O)OC)cs1
InChIInChI=1S/C15H24N2O2S/c1-3-6-14-16-12(11-20-14)10-17-8-5-4-7-13(17)9-15(18)19-2/h11,13H,3-10H2,1-2H3
InChIKeyOHPMMMOODIMJSH-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.01
Rot. Bonds6

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

methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate (PubChem CID 62027339) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
PubChem CID62027339
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Namemethyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
SMILESCCCc1nc(CN2CCCCC2CC(=O)OC)cs1
InChIInChI=1S/C15H24N2O2S/c1-3-6-14-16-12(11-20-14)10-17-8-5-4-7-13(17)9-15(18)19-2/h11,13H,3-10H2,1-2H3
InChIKeyOHPMMMOODIMJSH-UHFFFAOYSA-N
XLogP3.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79545913
methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62026007
methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 80709452
methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate
CID 84593667
2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 83044336
2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83046678
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338946
3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784529
2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
CID 126803496
4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104690534
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
N-[[4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 104692365

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate (CID 62027339) is methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate is CCCc1nc(CN2CCCCC2CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate?
The InChIKey is OHPMMMOODIMJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-6-14-16-12(11-20-14)10-17-8-5-4-7-13(17)9-15(18)19-2/h11,13H,3-10H2,1-2H3.
What are the key properties of methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate?
methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate has a molecular weight of 296.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 62027339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).