(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone

C17H19BrN2O2S — CID 97264285

IUPAC(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESCC(C)c1sc(Br)nc1C(=O)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H19BrN2O2S/c1-11(2)15-14(19-17(18)23-15)16(21)20-8-9-22-13(10-20)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyOBXLLWCNFYKIND-CYBMUJFWSA-N
MW395.32 g/mol
LogP4.24
Rot. Bonds3

About (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone

(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone (PubChem CID 97264285) has the molecular formula C17H19BrN2O2S and a molecular weight of 395.32 g/mol. Its IUPAC name is (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
PubChem CID97264285
Molecular FormulaC17H19BrN2O2S
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESCC(C)c1sc(Br)nc1C(=O)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H19BrN2O2S/c1-11(2)15-14(19-17(18)23-15)16(21)20-8-9-22-13(10-20)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyOBXLLWCNFYKIND-CYBMUJFWSA-N
XLogP4.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
(5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 42234827
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 52534001
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120
(5-bromofuran-2-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31414929
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone
CID 75489916
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
CID 124588141
6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
CID 35266981
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone (CID 97264285) is (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone is CC(C)c1sc(Br)nc1C(=O)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is OBXLLWCNFYKIND-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19BrN2O2S/c1-11(2)15-14(19-17(18)23-15)16(21)20-8-9-22-13(10-20)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 395.32 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 97264285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).