methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate

C24H24N4O6S — CID 88897898

IUPACmethyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate
SMILESCOC(=O)C(CNC(=O)c1ccccc1)NC(=O)c1sc(NC(=O)Cc2cccc(O)c2)nc1C
InChIInChI=1S/C24H24N4O6S/c1-14-20(35-24(26-14)28-19(30)12-15-7-6-10-17(29)11-15)22(32)27-18(23(33)34-2)13-25-21(31)16-8-4-3-5-9-16/h3-11,18,29H,12-13H2,1-2H3,(H,25,31)(H,27,32)(H,26,28,30)
InChIKeyVOQKNQDNHXESQJ-UHFFFAOYSA-N
MW496.55 g/mol
LogP2.04
Rot. Bonds9

About methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate

methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate (PubChem CID 88897898) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate
PubChem CID88897898
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC Namemethyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate
SMILESCOC(=O)C(CNC(=O)c1ccccc1)NC(=O)c1sc(NC(=O)Cc2cccc(O)c2)nc1C
InChIInChI=1S/C24H24N4O6S/c1-14-20(35-24(26-14)28-19(30)12-15-7-6-10-17(29)11-15)22(32)27-18(23(33)34-2)13-25-21(31)16-8-4-3-5-9-16/h3-11,18,29H,12-13H2,1-2H3,(H,25,31)(H,27,32)(H,26,28,30)
InChIKeyVOQKNQDNHXESQJ-UHFFFAOYSA-N
XLogP2.04
TPSA146.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate
CID 88898077
methyl (2S)-3-[(3,5-dihydroxybenzoyl)amino]-2-[[2-[3-(3-hydroxyphenyl)propanoylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate
CID 88897882
methyl (2S)-3-(2,3-dihydrothiophene-5-carbonylamino)-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]propanoate
CID 88930687
methyl (2S)-3-(2,3-dihydrothiophene-5-carbonylamino)-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-1,3-thiazole-5-carbonyl]amino]propanoate
CID 88930686
4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 28803701
2,2-dimethylpropyl (2S)-2-[[2-[[2-(1H-indazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate
CID 88897911
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849339
methyl (2S)-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]-6-methylbenzoyl]amino]-3-[(3,5-dihydroxybenzoyl)amino]propanoate
CID 131723041
benzyl 4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 110442130
methyl (2S)-3-amino-2-[[2-[3-(3-hydroxyphenyl)propylamino]-4,6-dimethylpyrimidine-5-carbonyl]amino]propanoate;methyl (2S)-3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[2-[3-(3-hydroxyphenyl)propylamino]-4,6-dimethylpyrimidine-5-carbonyl]amino]propanoate
CID 160942271
2-morpholin-4-ylethyl (2S)-2-[[2-[[2-(1H-indazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate
CID 86671267
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate (CID 88897898) is methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate is COC(=O)C(CNC(=O)c1ccccc1)NC(=O)c1sc(NC(=O)Cc2cccc(O)c2)nc1C.
What is the InChIKey of methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate?
The InChIKey is VOQKNQDNHXESQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-14-20(35-24(26-14)28-19(30)12-15-7-6-10-17(29)11-15)22(32)27-18(23(33)34-2)13-25-21(31)16-8-4-3-5-9-16/h3-11,18,29H,12-13H2,1-2H3,(H,25,31)(H,27,32)(H,26,28,30).
What are the key properties of methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate?
methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate has a molecular weight of 496.55 g/mol, XLogP of 2.04, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzamido-2-[[2-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate is sourced from PubChem (CID 88897898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).