2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride

C32H30BrClN6O5S2 — CID 159272521

IUPAC2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCOc1ccccc1C(C(=O)Nc1nccs1)N1Cc2ccc(Br)cc2C1=O.COc1ccccc1C(N)C(=O)Nc1nccs1.Cl
InChIInChI=1S/C20H16BrN3O3S.C12H13N3O2S.ClH/c1-27-16-5-3-2-4-14(16)17(18(25)23-20-22-8-9-28-20)24-11-12-6-7-13(21)10-15(12)19(24)26;1-17-9-5-3-2-4-8(9)10(13)11(16)15-12-14-6-7-18-12;/h2-10,17H,11H2,1H3,(H,22,23,25);2-7,10H,13H2,1H3,(H,14,15,16);1H
InChIKeyTWYBMJWMDIPKED-UHFFFAOYSA-N
MW758.12 g/mol
LogP6.46
Rot. Bonds9

About 2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride

2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride (PubChem CID 159272521) has the molecular formula C32H30BrClN6O5S2 and a molecular weight of 758.12 g/mol. Its IUPAC name is 2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride
PubChem CID159272521
Molecular FormulaC32H30BrClN6O5S2
Molecular Weight758.12 g/mol
Exact Mass756.06
IUPAC Name2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCOc1ccccc1C(C(=O)Nc1nccs1)N1Cc2ccc(Br)cc2C1=O.COc1ccccc1C(N)C(=O)Nc1nccs1.Cl
InChIInChI=1S/C20H16BrN3O3S.C12H13N3O2S.ClH/c1-27-16-5-3-2-4-14(16)17(18(25)23-20-22-8-9-28-20)24-11-12-6-7-13(21)10-15(12)19(24)26;1-17-9-5-3-2-4-8(9)10(13)11(16)15-12-14-6-7-18-12;/h2-10,17H,11H2,1H3,(H,22,23,25);2-7,10H,13H2,1H3,(H,14,15,16);1H
InChIKeyTWYBMJWMDIPKED-UHFFFAOYSA-N
XLogP6.46
TPSA148.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.12
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 137353024
2-[5-[2-(6-amino-3-pyridinyl)ethynyl]-3-oxo-1H-isoindol-2-yl]-2-(3-methoxy-2-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide
CID 137352902
(2R,3Z)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-5-fluoro-3-(1-methoxyethenyl)-N-(1,3-thiazol-2-yl)hexa-3,5-dienamide
CID 163587968
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
2-(5-fluoro-2-methoxyphenyl)-2-[3-oxo-5-[2-[4-(piperazin-1-ylmethyl)phenyl]ethynyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 137352414
(2R)-2-[5-[2-(6-amino-3-pyridinyl)ethynyl]-3-oxo-1H-isoindol-2-yl]-2-(2,5-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 175748518
4-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]benzoic acid
CID 135351539
2-[5-[2-(6-amino-3-pyridinyl)ethynyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 137353183
4-[2-[1-[5-fluoro-2-(methoxymethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-oxo-1H-isoindol-5-yl]benzoic acid
CID 139511922
(2R)-2-[3-oxo-5-(2-pyridin-3-ylethynyl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 175748502
(2S)-2-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-hydroxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 146468876
3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 46278131

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride (CID 159272521) is 2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride is COc1ccccc1C(C(=O)Nc1nccs1)N1Cc2ccc(Br)cc2C1=O.COc1ccccc1C(N)C(=O)Nc1nccs1.Cl.
What is the InChIKey of 2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride?
The InChIKey is TWYBMJWMDIPKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3S.C12H13N3O2S.ClH/c1-27-16-5-3-2-4-14(16)17(18(25)23-20-22-8-9-28-20)24-11-12-6-7-13(21)10-15(12)19(24)26;1-17-9-5-3-2-4-8(9)10(13)11(16)15-12-14-6-7-18-12;/h2-10,17H,11H2,1H3,(H,22,23,25);2-7,10H,13H2,1H3,(H,14,15,16);1H.
What are the key properties of 2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride?
2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride has a molecular weight of 758.12 g/mol, XLogP of 6.46, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 159272521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).