(2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C16H24N2OS — CID 11335336

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CC3(C)CC2CC(C)(C)C3)s1
InChIInChI=1S/C16H24N2OS/c1-10-13(20-11(2)17-10)14(19)18-9-16(5)7-12(18)6-15(3,4)8-16/h12H,6-9H2,1-5H3
InChIKeyFFXYESGVDUPGOI-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.80
Rot. Bonds1

About (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 11335336) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID11335336
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CC3(C)CC2CC(C)(C)C3)s1
InChIInChI=1S/C16H24N2OS/c1-10-13(20-11(2)17-10)14(19)18-9-16(5)7-12(18)6-15(3,4)8-16/h12H,6-9H2,1-5H3
InChIKeyFFXYESGVDUPGOI-UHFFFAOYSA-N
XLogP3.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 11335336) is (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is Cc1nc(C)c(C(=O)N2CC3(C)CC2CC(C)(C)C3)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is FFXYESGVDUPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-10-13(20-11(2)17-10)14(19)18-9-16(5)7-12(18)6-15(3,4)8-16/h12H,6-9H2,1-5H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 292.45 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 11335336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).