(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone

C11H15N3OS — CID 122544408

IUPAC(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)c1cncs1
InChIInChI=1S/C11H15N3OS/c1-13-5-8-2-3-9(6-13)14(8)11(15)10-4-12-7-16-10/h4,7-9H,2-3,5-6H2,1H3
InChIKeyHLSUZLPGXXFJLP-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.06
Rot. Bonds1

About (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone

(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone (PubChem CID 122544408) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone
PubChem CID122544408
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)c1cncs1
InChIInChI=1S/C11H15N3OS/c1-13-5-8-2-3-9(6-13)14(8)11(15)10-4-12-7-16-10/h4,7-9H,2-3,5-6H2,1H3
InChIKeyHLSUZLPGXXFJLP-UHFFFAOYSA-N
XLogP1.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone (CID 122544408) is (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone is CN1CC2CCC(C1)N2C(=O)c1cncs1.
What is the InChIKey of (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone?
The InChIKey is HLSUZLPGXXFJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-13-5-8-2-3-9(6-13)14(8)11(15)10-4-12-7-16-10/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone?
(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone has a molecular weight of 237.33 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 122544408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).