methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate

C21H20N2O3S — CID 7833140

IUPACmethyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O3S/c1-26-21(25)18(12-15-8-4-2-5-9-15)23-19(24)13-17-14-27-20(22-17)16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyRRDSBEFYYYUUFK-SFHVURJKSA-N
MW380.47 g/mol
LogP3.25
Rot. Bonds7

About methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate

methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate (PubChem CID 7833140) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate
PubChem CID7833140
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Namemethyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O3S/c1-26-21(25)18(12-15-8-4-2-5-9-15)23-19(24)13-17-14-27-20(22-17)16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyRRDSBEFYYYUUFK-SFHVURJKSA-N
XLogP3.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45492023
2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45369812
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
methyl 2-[[2-[2-(1-amino-2-phenylethyl)-1,3-thiazol-4-yl]acetyl]amino]propanoate
CID 110450425
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
methyl 2-[[2-(1,3-benzothiazol-2-yl)acetyl]amino]-3-phenylpropanoate
CID 58470418
(2S)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 29131429
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945
methyl (2S)-2-[[2-(3H-diazirin-3-yl)acetyl]amino]-3-phenylpropanoate
CID 146167000
2-[[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 45369620
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
(2R)-2-[[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 51808667

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate (CID 7833140) is methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate?
The InChIKey is RRDSBEFYYYUUFK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-26-21(25)18(12-15-8-4-2-5-9-15)23-19(24)13-17-14-27-20(22-17)16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3,(H,23,24)/t18-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate?
methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate has a molecular weight of 380.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate is sourced from PubChem (CID 7833140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).