methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate

C14H14N2O3S — CID 63050089

IUPACmethyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cscn1
InChIInChI=1S/C14H14N2O3S/c1-19-14(18)11(7-10-5-3-2-4-6-10)16-13(17)12-8-20-9-15-12/h2-6,8-9,11H,7H2,1H3,(H,16,17)
InChIKeyCLLJMQRVOWRWOJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.66
Rot. Bonds5

About methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate

methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate (PubChem CID 63050089) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate
PubChem CID63050089
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cscn1
InChIInChI=1S/C14H14N2O3S/c1-19-14(18)11(7-10-5-3-2-4-6-10)16-13(17)12-8-20-9-15-12/h2-6,8-9,11H,7H2,1H3,(H,16,17)
InChIKeyCLLJMQRVOWRWOJ-UHFFFAOYSA-N
XLogP1.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 114916710
methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 99803493
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
methyl (2S)-2-[(5-acetylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 18104502
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl (2S)-2-[(5-acetyl-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoate
CID 10914020
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
methyl (2S)-3-phenyl-2-[(3,4,5-tribromothiophene-2-carbonyl)amino]propanoate
CID 110192016

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate?
The IUPAC name of methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate (CID 63050089) is methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate?
The canonical SMILES for methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1cscn1.
What is the InChIKey of methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate?
The InChIKey is CLLJMQRVOWRWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-19-14(18)11(7-10-5-3-2-4-6-10)16-13(17)12-8-20-9-15-12/h2-6,8-9,11H,7H2,1H3,(H,16,17).
What are the key properties of methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate?
methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate has a molecular weight of 290.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate is sourced from PubChem (CID 63050089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).