(1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione

C14H18N2O2S — CID 98153705

IUPAC(1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCc1cnc(N2C(=O)[C@@H]3CC[C@@](C)(C2=O)C3(C)C)s1
InChIInChI=1S/C14H18N2O2S/c1-8-7-15-12(19-8)16-10(17)9-5-6-14(4,11(16)18)13(9,2)3/h7,9H,5-6H2,1-4H3/t9-,14-/m0/s1
InChIKeyQXQDAVQIAILCAO-XPTSAGLGSA-N
MW278.38 g/mol
LogP2.77
Rot. Bonds1

About (1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione

(1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 98153705) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name(1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID98153705
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCc1cnc(N2C(=O)[C@@H]3CC[C@@](C)(C2=O)C3(C)C)s1
InChIInChI=1S/C14H18N2O2S/c1-8-7-15-12(19-8)16-10(17)9-5-6-14(4,11(16)18)13(9,2)3/h7,9H,5-6H2,1-4H3/t9-,14-/m0/s1
InChIKeyQXQDAVQIAILCAO-XPTSAGLGSA-N
XLogP2.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of (1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione (CID 98153705) is (1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for (1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for (1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione is Cc1cnc(N2C(=O)[C@@H]3CC[C@@](C)(C2=O)C3(C)C)s1.
What is the InChIKey of (1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is QXQDAVQIAILCAO-XPTSAGLGSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8-7-15-12(19-8)16-10(17)9-5-6-14(4,11(16)18)13(9,2)3/h7,9H,5-6H2,1-4H3/t9-,14-/m0/s1.
What are the key properties of (1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
(1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 278.38 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1,8,8-trimethyl-3-(5-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 98153705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).