1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one

C14H16N2O2S — CID 166256430

IUPAC1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one
SMILESCC1C(=O)CCCN1Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C14H16N2O2S/c1-10-13(17)3-2-5-16(10)7-12-9-19-14(15-12)11-4-6-18-8-11/h4,6,8-10H,2-3,5,7H2,1H3
InChIKeyORSFZFAKTWRFPW-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.96
Rot. Bonds3

About 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one

1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one (PubChem CID 166256430) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one.

Molecular Properties

Compound Name1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one
PubChem CID166256430
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one
SMILESCC1C(=O)CCCN1Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C14H16N2O2S/c1-10-13(17)3-2-5-16(10)7-12-9-19-14(15-12)11-4-6-18-8-11/h4,6,8-10H,2-3,5,7H2,1H3
InChIKeyORSFZFAKTWRFPW-UHFFFAOYSA-N
XLogP2.96
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111753130
4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole
CID 166559603
[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773064
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride
CID 120757715
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484065
2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
CID 75462976
trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 96998546
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone
CID 136526983
3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249390
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502086
2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 99576883
4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole
CID 167826148

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one?
The IUPAC name of 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one (CID 166256430) is 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one.
What is the SMILES notation for 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one?
The canonical SMILES for 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one is CC1C(=O)CCCN1Cc1csc(-c2ccoc2)n1.
What is the InChIKey of 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one?
The InChIKey is ORSFZFAKTWRFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-13(17)3-2-5-16(10)7-12-9-19-14(15-12)11-4-6-18-8-11/h4,6,8-10H,2-3,5,7H2,1H3.
What are the key properties of 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one?
1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one has a molecular weight of 276.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one is sourced from PubChem (CID 166256430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).