(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C20H24N2O3S — CID 92597656

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCOc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C20H24N2O3S/c1-12-19(26-13(2)21-12)20(23)22-15-5-4-14(10-15)18(22)11-25-17-8-6-16(24-3)7-9-17/h6-9,14-15,18H,4-5,10-11H2,1-3H3/t14-,15+,18+/m1/s1
InChIKeyGLSHSTPPYBNSSP-VKJFTORMSA-N
MW372.49 g/mol
LogP3.84
Rot. Bonds5

About (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 92597656) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID92597656
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCOc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C20H24N2O3S/c1-12-19(26-13(2)21-12)20(23)22-15-5-4-14(10-15)18(22)11-25-17-8-6-16(24-3)7-9-17/h6-9,14-15,18H,4-5,10-11H2,1-3H3/t14-,15+,18+/m1/s1
InChIKeyGLSHSTPPYBNSSP-VKJFTORMSA-N
XLogP3.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-[(3S)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 110211728
[(3R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-2-ylmethanone
CID 110211715
[(3S)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-2-ylmethanone
CID 110211700
[(1S,3R,4S)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone
CID 98057399
3-methoxy-1-[(3S)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 110211701
(4-methoxycyclohexyl)-[(1R,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 98057409
2-methoxy-1-[(3S)-3-[(3-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone
CID 110211601
2-methoxy-1-[(1R,3S,4R)-3-[(3-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone
CID 98057140
[(3S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 110211675
(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 70779388
(1R,3R,4R)-2-ethylsulfonyl-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptane
CID 98057443
1-[(1R,3S,4R)-3-[(3-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 98057142

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 92597656) is (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2sc(C)nc2C)cc1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is GLSHSTPPYBNSSP-VKJFTORMSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12-19(26-13(2)21-12)20(23)22-15-5-4-14(10-15)18(22)11-25-17-8-6-16(24-3)7-9-17/h6-9,14-15,18H,4-5,10-11H2,1-3H3/t14-,15+,18+/m1/s1.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 372.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,3R,4R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 92597656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).