1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one

C17H21N3O2S — CID 166340267

IUPAC1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
SMILESCCC(=O)N1C2CCC1CN(Cc1csc(-c3ccco3)n1)C2
InChIInChI=1S/C17H21N3O2S/c1-2-16(21)20-13-5-6-14(20)10-19(9-13)8-12-11-23-17(18-12)15-4-3-7-22-15/h3-4,7,11,13-14H,2,5-6,8-10H2,1H3
InChIKeyZGSLXSJTXJRXJL-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.99
Rot. Bonds4

About 1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one

1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one (PubChem CID 166340267) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
PubChem CID166340267
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
SMILESCCC(=O)N1C2CCC1CN(Cc1csc(-c3ccco3)n1)C2
InChIInChI=1S/C17H21N3O2S/c1-2-16(21)20-13-5-6-14(20)10-19(9-13)8-12-11-23-17(18-12)15-4-3-7-22-15/h3-4,7,11,13-14H,2,5-6,8-10H2,1H3
InChIKeyZGSLXSJTXJRXJL-UHFFFAOYSA-N
XLogP2.99
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one 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

2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 43521719
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119909924
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761907
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
N-cyclopropyl-2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanamide
CID 51339316

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one?
The IUPAC name of 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) is 1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one.
What is the SMILES notation for 1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one?
The canonical SMILES for 1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one is CCC(=O)N1C2CCC1CN(Cc1csc(-c3ccco3)n1)C2.
What is the InChIKey of 1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one?
The InChIKey is ZGSLXSJTXJRXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-16(21)20-13-5-6-14(20)10-19(9-13)8-12-11-23-17(18-12)15-4-3-7-22-15/h3-4,7,11,13-14H,2,5-6,8-10H2,1H3.
What are the key properties of 1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one?
1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one has a molecular weight of 331.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one is sourced from PubChem (CID 166340267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).