methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate

C15H18N2O3S — CID 60714594

IUPACmethyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C15H18N2O3S/c1-19-15(18)11-4-6-17(7-5-11)9-12-10-21-14(16-12)13-3-2-8-20-13/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyYPFXDLVSWNAKNS-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.79
Rot. Bonds4

About methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate

methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate (PubChem CID 60714594) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
PubChem CID60714594
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Namemethyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C15H18N2O3S/c1-19-15(18)11-4-6-17(7-5-11)9-12-10-21-14(16-12)13-3-2-8-20-13/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyYPFXDLVSWNAKNS-UHFFFAOYSA-N
XLogP2.79
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 43521719
N-cyclopropyl-2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanamide
CID 51339316
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120775782
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371085
1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 166340267
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 134033856
cis-methyl (1R,2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]cycloheptane-1-carboxylate
CID 97307342

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate (CID 60714594) is methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2csc(-c3ccco3)n2)CC1.
What is the InChIKey of methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate?
The InChIKey is YPFXDLVSWNAKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-19-15(18)11-4-6-17(7-5-11)9-12-10-21-14(16-12)13-3-2-8-20-13/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate?
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 60714594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).