fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate

C11H15FN2O3S — CID 143829244

IUPACfluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCO[C@H]1CN(c2ncc(C(=O)OF)s2)CC[C@H]1C
InChIInChI=1S/C11H15FN2O3S/c1-7-3-4-14(6-8(7)16-2)11-13-5-9(18-11)10(15)17-12/h5,7-8H,3-4,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyPRIQIIWLDISOMC-SFYZADRCSA-N
MW274.32 g/mol
LogP2.05
Rot. Bonds3

About fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate

fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 143829244) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namefluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID143829244
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Namefluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCO[C@H]1CN(c2ncc(C(=O)OF)s2)CC[C@H]1C
InChIInChI=1S/C11H15FN2O3S/c1-7-3-4-14(6-8(7)16-2)11-13-5-9(18-11)10(15)17-12/h5,7-8H,3-4,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyPRIQIIWLDISOMC-SFYZADRCSA-N
XLogP2.05
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

2-(Morpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 15475835
Ethyl 2-morpholinothiazole-5-carboxylate
CID 11053825
2-(4-Methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752431
Methyl 2-[2-(difluoromethoxymethyl)-4-[3-(difluoromethoxymethyl)cyclobutyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774399
methyl 2-[(2S)-4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774475
methyl 2-[(2S)-2-(difluoromethoxymethyl)-4-[3-(difluoromethoxymethyl)cyclobutyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 175152723
2-[4-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 65531933
Methyl 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80572471
Methyl 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80572509
Methyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate
CID 27003648
methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 59406827
Methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 59679259

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 143829244) is fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate is CO[C@H]1CN(c2ncc(C(=O)OF)s2)CC[C@H]1C.
What is the InChIKey of fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is PRIQIIWLDISOMC-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-7-3-4-14(6-8(7)16-2)11-13-5-9(18-11)10(15)17-12/h5,7-8H,3-4,6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate?
fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 143829244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).