(5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone

C19H19N3O2S — CID 42234827

IUPAC(5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESCc1sc(-n2cccc2)nc1C(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C19H19N3O2S/c1-14-17(20-19(25-14)21-9-5-6-10-21)18(23)22-11-12-24-16(13-22)15-7-3-2-4-8-15/h2-10,16H,11-13H2,1H3/t16-/m0/s1
InChIKeyLSHHKQLLJMKGRK-INIZCTEOSA-N
MW353.45 g/mol
LogP3.46
Rot. Bonds3

About (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone

(5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone (PubChem CID 42234827) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
PubChem CID42234827
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESCc1sc(-n2cccc2)nc1C(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C19H19N3O2S/c1-14-17(20-19(25-14)21-9-5-6-10-21)18(23)22-11-12-24-16(13-22)15-7-3-2-4-8-15/h2-10,16H,11-13H2,1H3/t16-/m0/s1
InChIKeyLSHHKQLLJMKGRK-INIZCTEOSA-N
XLogP3.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97264285
(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone
CID 75489916
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605
6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
CID 35266981
1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134792
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 47021336
[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121134787
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone (CID 42234827) is (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone is Cc1sc(-n2cccc2)nc1C(=O)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is LSHHKQLLJMKGRK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-17(20-19(25-14)21-9-5-6-10-21)18(23)22-11-12-24-16(13-22)15-7-3-2-4-8-15/h2-10,16H,11-13H2,1H3/t16-/m0/s1.
What are the key properties of (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
(5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 353.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 42234827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).