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

C18H23N3O2S — CID 75375290

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC(C)N1C2CCC1CN(C(=O)c1csc(-c3ccco3)n1)CC2
InChIInChI=1S/C18H23N3O2S/c1-12(2)21-13-5-6-14(21)10-20(8-7-13)18(22)15-11-24-17(19-15)16-4-3-9-23-16/h3-4,9,11-14H,5-8,10H2,1-2H3
InChIKeyBUUGFUSEXVIDQQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.49
Rot. Bonds3

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

[2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 75375290) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID75375290
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC(C)N1C2CCC1CN(C(=O)c1csc(-c3ccco3)n1)CC2
InChIInChI=1S/C18H23N3O2S/c1-12(2)21-13-5-6-14(21)10-20(8-7-13)18(22)15-11-24-17(19-15)16-4-3-9-23-16/h3-4,9,11-14H,5-8,10H2,1-2H3
InChIKeyBUUGFUSEXVIDQQ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of [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) is [2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is CC(C)N1C2CCC1CN(C(=O)c1csc(-c3ccco3)n1)CC2.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is BUUGFUSEXVIDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)21-13-5-6-14(21)10-20(8-7-13)18(22)15-11-24-17(19-15)16-4-3-9-23-16/h3-4,9,11-14H,5-8,10H2,1-2H3.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(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-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 75375290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).