8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one

C14H20N2OS — CID 62739804

IUPAC8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1nc(C)c(C(C)N2C3CCC2CC(=O)C3)s1
InChIInChI=1S/C14H20N2OS/c1-8-14(18-10(3)15-8)9(2)16-11-4-5-12(16)7-13(17)6-11/h9,11-12H,4-7H2,1-3H3
InChIKeyBVLMNWWVVJZHAO-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.02
Rot. Bonds2

About 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one

8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62739804) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62739804
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1nc(C)c(C(C)N2C3CCC2CC(=O)C3)s1
InChIInChI=1S/C14H20N2OS/c1-8-14(18-10(3)15-8)9(2)16-11-4-5-12(16)7-13(17)6-11/h9,11-12H,4-7H2,1-3H3
InChIKeyBVLMNWWVVJZHAO-UHFFFAOYSA-N
XLogP3.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one with MolForge

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Related Compounds

1-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidin-4-one
CID 54975219
1-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one
CID 54976199
9-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 55106218
8-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55106720
1-(2-{1-[(4-Ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidinyl}ethyl)-2-pyrrolidinone
CID 56884379
1-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]piperidin-4-one
CID 61506263
1-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-one
CID 61506264
8-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740669
8-[(4-Methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 63284710
1-(11-Methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)ethanone
CID 63379628
1-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one
CID 79407387
1-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione
CID 79516964

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one (CID 62739804) is 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one is Cc1nc(C)c(C(C)N2C3CCC2CC(=O)C3)s1.
What is the InChIKey of 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is BVLMNWWVVJZHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-8-14(18-10(3)15-8)9(2)16-11-4-5-12(16)7-13(17)6-11/h9,11-12H,4-7H2,1-3H3.
What are the key properties of 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 264.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62739804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).