[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

C18H23N3O2S — CID 124776574

IUPAC[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1csc(-c3ccoc3)n1)CC2
InChIInChI=1S/C18H23N3O2S/c1-12(2)21-14-3-4-15(21)9-20(7-5-14)18(22)16-11-24-17(19-16)13-6-8-23-10-13/h6,8,10-12,14-15H,3-5,7,9H2,1-2H3/t14-,15-/m0/s1
InChIKeyVHCMJMSEJNATMH-GJZGRUSLSA-N
MW345.47 g/mol
LogP3.49
Rot. Bonds3

About [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (PubChem CID 124776574) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.

Molecular Properties

Compound Name[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
PubChem CID124776574
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1csc(-c3ccoc3)n1)CC2
InChIInChI=1S/C18H23N3O2S/c1-12(2)21-14-3-4-15(21)9-20(7-5-14)18(22)16-11-24-17(19-16)13-6-8-23-10-13/h6,8,10-12,14-15H,3-5,7,9H2,1-2H3/t14-,15-/m0/s1
InChIKeyVHCMJMSEJNATMH-GJZGRUSLSA-N
XLogP3.49
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone with MolForge

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75375290
(3S)-1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703697
1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 119125746
[4-(aminomethyl)piperidin-1-yl]-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119424072
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
CID 119418759
[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 100722964
(3-aminopyrrolidin-1-yl)-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone
CID 75513720
[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119412347
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120833329
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
CID 97053499
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434177
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870

Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The IUPAC name of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (CID 124776574) is [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.
What is the SMILES notation for [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The canonical SMILES for [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1csc(-c3ccoc3)n1)CC2.
What is the InChIKey of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The InChIKey is VHCMJMSEJNATMH-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)21-14-3-4-15(21)9-20(7-5-14)18(22)16-11-24-17(19-16)13-6-8-23-10-13/h6,8,10-12,14-15H,3-5,7,9H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is sourced from PubChem (CID 124776574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).