2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

C15H16N2O3S — CID 119234033

IUPAC2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1ncsc1C(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-10-13(21-9-17-10)14(18)16-8-12(15(19)20)7-11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyRUVMIPFAEPEINF-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.12
Rot. Bonds6

About 2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 119234033) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID119234033
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1ncsc1C(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-10-13(21-9-17-10)14(18)16-8-12(15(19)20)7-11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyRUVMIPFAEPEINF-UHFFFAOYSA-N
XLogP2.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 102673756
2-benzyl-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120525121
3-methyl-2-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65215342
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 75495598
2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119233508
4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide
CID 64991557
3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 81064431
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119233563
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 119234033) is 2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is Cc1ncsc1C(=O)NCC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is RUVMIPFAEPEINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-13(21-9-17-10)14(18)16-8-12(15(19)20)7-11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119234033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).