2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C14H15N3O3S — CID 66380511

IUPAC2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(N)(C(=O)NCc1nc(C(=O)O)cs1)c1ccccc1
InChIInChI=1S/C14H15N3O3S/c1-14(15,9-5-3-2-4-6-9)13(20)16-7-11-17-10(8-21-11)12(18)19/h2-6,8H,7,15H2,1H3,(H,16,20)(H,18,19)
InChIKeyGMCKXOMNSWRCNL-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.33
Rot. Bonds5

About 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66380511) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66380511
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(N)(C(=O)NCc1nc(C(=O)O)cs1)c1ccccc1
InChIInChI=1S/C14H15N3O3S/c1-14(15,9-5-3-2-4-6-9)13(20)16-7-11-17-10(8-21-11)12(18)19/h2-6,8H,7,15H2,1H3,(H,16,20)(H,18,19)
InChIKeyGMCKXOMNSWRCNL-UHFFFAOYSA-N
XLogP1.33
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 120596964
2-[[(2-amino-2-methylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379345
2-[[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 71915478
2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381434
2-[[[2-(ethylamino)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378761
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597319
2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245356
2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120687751
2-[[(2-acetamidoacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380091
2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588017
2-[[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 79376567
2-[(3-methylpentan-3-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 106330610

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66380511) is 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is CC(N)(C(=O)NCc1nc(C(=O)O)cs1)c1ccccc1.
What is the InChIKey of 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is GMCKXOMNSWRCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-14(15,9-5-3-2-4-6-9)13(20)16-7-11-17-10(8-21-11)12(18)19/h2-6,8H,7,15H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66380511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).