methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride

C11H18ClN3O3S — CID 68514478

IUPACmethyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(N2CC[C@@H](N)[C@H](OC)C2)s1.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-16-8-6-14(4-3-7(8)12)11-13-5-9(18-11)10(15)17-2;/h5,7-8H,3-4,6,12H2,1-2H3;1H/t7-,8-;/m1./s1
InChIKeyMIPLXIPFHVMCEA-SCLLHFNJSA-N
MW307.80 g/mol
LogP0.90
Rot. Bonds3

About methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride

methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 68514478) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID68514478
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Namemethyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(N2CC[C@@H](N)[C@H](OC)C2)s1.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-16-8-6-14(4-3-7(8)12)11-13-5-9(18-11)10(15)17-2;/h5,7-8H,3-4,6,12H2,1-2H3;1H/t7-,8-;/m1./s1
InChIKeyMIPLXIPFHVMCEA-SCLLHFNJSA-N
XLogP0.90
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride with MolForge

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Related Compounds

Ethyl 2-morpholinothiazole-5-carboxylate
CID 11053825
Ethyl 2-(piperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 54595879
fluoro 2-[(3S)-4-[[(2E)-2-(1-chloro-2-methylprop-1-enyl)iminopropanoyl]amino]-3-propoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 143829203
fluoro 2-[(3S)-4-[[(2E)-2-[(Z)-1,2-dibromoprop-1-enyl]iminopropanoyl]amino]-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 143829217
fluoro 2-[(3S)-4-[[(2E)-2-[(Z)-1,2-dichloroprop-1-enyl]iminopropanoyl]amino]-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 143829237
methyl 2-[(2S)-4-[3-(difluoromethoxy)cyclobutyl]-2-(difluoromethoxymethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774353
Methyl 2-[2-(difluoromethoxymethyl)-4-[(4-methoxycyclohexyl)amino]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774409
methyl 2-[(2S)-2-(difluoromethoxymethyl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774414
methyl 2-[(2S,4S)-2-(difluoromethoxymethyl)-4-[(4-methoxycyclohexyl)amino]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 175152882
Methyl 2-[2-(difluoromethoxymethyl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 175159135
fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 143829244
Methyl 2-(piperazin-1-yl)thiazole-5-carboxylate
CID 22831866

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride (CID 68514478) is methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride is COC(=O)c1cnc(N2CC[C@@H](N)[C@H](OC)C2)s1.Cl.
What is the InChIKey of methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is MIPLXIPFHVMCEA-SCLLHFNJSA-N. The full InChI is InChI=1S/C11H17N3O3S.ClH/c1-16-8-6-14(4-3-7(8)12)11-13-5-9(18-11)10(15)17-2;/h5,7-8H,3-4,6,12H2,1-2H3;1H/t7-,8-;/m1./s1.
What are the key properties of methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride?
methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 68514478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).