(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone

C17H22N4O2S — CID 155495074

IUPAC(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone
SMILESCN(C)C[C@@H]1OCCN(C(=O)c2cnc(N)s2)[C@H]1c1ccccc1
InChIInChI=1S/C17H22N4O2S/c1-20(2)11-13-15(12-6-4-3-5-7-12)21(8-9-23-13)16(22)14-10-19-17(18)24-14/h3-7,10,13,15H,8-9,11H2,1-2H3,(H2,18,19)/t13-,15-/m0/s1
InChIKeyAWEFOWSCAOINJK-ZFWWWQNUSA-N
MW346.46 g/mol
LogP1.87
Rot. Bonds4

About (2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone

(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone (PubChem CID 155495074) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone
PubChem CID155495074
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone
SMILESCN(C)C[C@@H]1OCCN(C(=O)c2cnc(N)s2)[C@H]1c1ccccc1
InChIInChI=1S/C17H22N4O2S/c1-20(2)11-13-15(12-6-4-3-5-7-12)21(8-9-23-13)16(22)14-10-19-17(18)24-14/h3-7,10,13,15H,8-9,11H2,1-2H3,(H2,18,19)/t13-,15-/m0/s1
InChIKeyAWEFOWSCAOINJK-ZFWWWQNUSA-N
XLogP1.87
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzothiophen-2-yl-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 155501916
[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
CID 155506426
6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155508906
3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 155494431
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 155492694
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 155502029
[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(4-fluoro-3-hydroxyphenyl)methanone;formic acid
CID 155940242
(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155507363
2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]chromen-4-one
CID 155508575
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 155504668
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone
CID 155496283
1,3-dihydro-2-benzofuran-4-yl-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 157015556

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone (CID 155495074) is (2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone is CN(C)C[C@@H]1OCCN(C(=O)c2cnc(N)s2)[C@H]1c1ccccc1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone?
The InChIKey is AWEFOWSCAOINJK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20(2)11-13-15(12-6-4-3-5-7-12)21(8-9-23-13)16(22)14-10-19-17(18)24-14/h3-7,10,13,15H,8-9,11H2,1-2H3,(H2,18,19)/t13-,15-/m0/s1.
What are the key properties of (2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone?
(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone has a molecular weight of 346.46 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 155495074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).