(2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone

C16H23N3OS — CID 71860212

IUPAC(2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone
SMILESCCN1CCC2CCC(C1)N2C(=O)c1cnc(C2CC2)s1
InChIInChI=1S/C16H23N3OS/c1-2-18-8-7-12-5-6-13(10-18)19(12)16(20)14-9-17-15(21-14)11-3-4-11/h9,11-13H,2-8,10H2,1H3
InChIKeyFLXIQXFVHOZSKR-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.72
Rot. Bonds3

About (2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone

(2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone (PubChem CID 71860212) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone
PubChem CID71860212
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name(2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone
SMILESCCN1CCC2CCC(C1)N2C(=O)c1cnc(C2CC2)s1
InChIInChI=1S/C16H23N3OS/c1-2-18-8-7-12-5-6-13(10-18)19(12)16(20)14-9-17-15(21-14)11-3-4-11/h9,11-13H,2-8,10H2,1H3
InChIKeyFLXIQXFVHOZSKR-UHFFFAOYSA-N
XLogP2.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone?
The IUPAC name of (2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone (CID 71860212) is (2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone.
What is the SMILES notation for (2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone?
The canonical SMILES for (2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone is CCN1CCC2CCC(C1)N2C(=O)c1cnc(C2CC2)s1.
What is the InChIKey of (2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone?
The InChIKey is FLXIQXFVHOZSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-18-8-7-12-5-6-13(10-18)19(12)16(20)14-9-17-15(21-14)11-3-4-11/h9,11-13H,2-8,10H2,1H3.
What are the key properties of (2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone?
(2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone has a molecular weight of 305.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone is sourced from PubChem (CID 71860212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).