(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C20H24N2O3S — CID 70779388

IUPAC(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCOc1ccc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2sc(OC)nc2C)cc1
InChIInChI=1S/C20H24N2O3S/c1-12-18(26-20(21-12)25-3)19(23)22-15-6-7-16(22)11-14(10-15)13-4-8-17(24-2)9-5-13/h4-5,8-9,14-16H,6-7,10-11H2,1-3H3/t14?,15-,16+
InChIKeyHRNLHZKYQQSIDA-MQVJKMGUSA-N
MW372.49 g/mol
LogP4.02
Rot. Bonds4

About (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 70779388) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID70779388
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCOc1ccc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2sc(OC)nc2C)cc1
InChIInChI=1S/C20H24N2O3S/c1-12-18(26-20(21-12)25-3)19(23)22-15-6-7-16(22)11-14(10-15)13-4-8-17(24-2)9-5-13/h4-5,8-9,14-16H,6-7,10-11H2,1-3H3/t14?,15-,16+
InChIKeyHRNLHZKYQQSIDA-MQVJKMGUSA-N
XLogP4.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone with MolForge

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Related Compounds

(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
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 98067092
(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 70777552
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(3-methoxythiophen-2-yl)methanone
CID 81129558
(4-methoxyphenyl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90615848
3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 67514282
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 46421205
(1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane
CID 56897536
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124687784
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
CID 66996802

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (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) is (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is COc1ccc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2sc(OC)nc2C)cc1.
What is the InChIKey of (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is HRNLHZKYQQSIDA-MQVJKMGUSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12-18(26-20(21-12)25-3)19(23)22-15-6-7-16(22)11-14(10-15)13-4-8-17(24-2)9-5-13/h4-5,8-9,14-16H,6-7,10-11H2,1-3H3/t14?,15-,16+.
What are the key properties of (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 372.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 70779388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).