(4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C19H20ClN3O2S — CID 166296587

IUPAC(4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESO=C(c1sc(N2CCOCC2)nc1Cl)N1C[C@@H]2C[C@@H]2[C@@H]1c1ccccc1
InChIInChI=1S/C19H20ClN3O2S/c20-17-16(26-19(21-17)22-6-8-25-9-7-22)18(24)23-11-13-10-14(13)15(23)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2/t13-,14-,15-/m0/s1
InChIKeyMJRUOODYFYDNKF-KKUMJFAQSA-N
MW389.91 g/mol
LogP3.47
Rot. Bonds3

About (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone

(4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 166296587) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID166296587
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name(4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESO=C(c1sc(N2CCOCC2)nc1Cl)N1C[C@@H]2C[C@@H]2[C@@H]1c1ccccc1
InChIInChI=1S/C19H20ClN3O2S/c20-17-16(26-19(21-17)22-6-8-25-9-7-22)18(24)23-11-13-10-14(13)15(23)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2/t13-,14-,15-/m0/s1
InChIKeyMJRUOODYFYDNKF-KKUMJFAQSA-N
XLogP3.47
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone with MolForge

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Related Compounds

4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 166319617
4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 62764238
[3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 167948630
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25446089
3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 154568818
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
methyl 4-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,3-thiazole-5-carboxylate
CID 61361803
(2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
CID 10361076
2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid
CID 78979372
2-morpholin-4-yl-4-[2-oxo-2-[2-(trideuteriomethyl)-2,3-dihydroindol-1-yl]ethyl]-1,3-thiazole-5-carboxylic acid
CID 57411717
(7S)-7-(2-chlorophenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51719782

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 166296587) is (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone is O=C(c1sc(N2CCOCC2)nc1Cl)N1C[C@@H]2C[C@@H]2[C@@H]1c1ccccc1.
What is the InChIKey of (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is MJRUOODYFYDNKF-KKUMJFAQSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c20-17-16(26-19(21-17)22-6-8-25-9-7-22)18(24)23-11-13-10-14(13)15(23)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2/t13-,14-,15-/m0/s1.
What are the key properties of (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
(4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 389.91 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 166296587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).