1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone

C23H26N2O3S — CID 177183927

IUPAC1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone
SMILESO=C(N1CCO[C@@H](c2nc(-c3ccccc3C3(O)CC3)cs2)C1)C12CCC(C1)C2
InChIInChI=1S/C23H26N2O3S/c26-21(22-6-5-15(11-22)12-22)25-9-10-28-19(13-25)20-24-18(14-29-20)16-3-1-2-4-17(16)23(27)7-8-23/h1-4,14-15,19,27H,5-13H2/t15?,19-,22?/m1/s1
InChIKeyGOJLWMSBQVUHFM-JOXBDYEASA-N
MW410.54 g/mol
LogP3.88
Rot. Bonds4

About 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone

1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone (PubChem CID 177183927) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone
PubChem CID177183927
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone
SMILESO=C(N1CCO[C@@H](c2nc(-c3ccccc3C3(O)CC3)cs2)C1)C12CCC(C1)C2
InChIInChI=1S/C23H26N2O3S/c26-21(22-6-5-15(11-22)12-22)25-9-10-28-19(13-25)20-24-18(14-29-20)16-3-1-2-4-17(16)23(27)7-8-23/h1-4,14-15,19,27H,5-13H2/t15?,19-,22?/m1/s1
InChIKeyGOJLWMSBQVUHFM-JOXBDYEASA-N
XLogP3.88
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-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

[(2R)-2-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-bicyclo[2.1.1]hexanyl)methanone
CID 177184033
1-bicyclo[2.1.1]hexanyl-[2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholin-4-yl]methanone
CID 177184024
1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 146088807
1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 25281285
1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one
CID 177183884
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124873671
1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
[(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 177184012
[(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 177184078
(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 97350829
(5-chloro-2-hydroxyphenyl)-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154755989
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 100746996

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone?
The IUPAC name of 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone (CID 177183927) is 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone.
What is the SMILES notation for 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone?
The canonical SMILES for 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone is O=C(N1CCO[C@@H](c2nc(-c3ccccc3C3(O)CC3)cs2)C1)C12CCC(C1)C2.
What is the InChIKey of 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone?
The InChIKey is GOJLWMSBQVUHFM-JOXBDYEASA-N. The full InChI is InChI=1S/C23H26N2O3S/c26-21(22-6-5-15(11-22)12-22)25-9-10-28-19(13-25)20-24-18(14-29-20)16-3-1-2-4-17(16)23(27)7-8-23/h1-4,14-15,19,27H,5-13H2/t15?,19-,22?/m1/s1.
What are the key properties of 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone?
1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone has a molecular weight of 410.54 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 177183927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).