2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid

C13H13N3O3S — CID 62789159

IUPAC2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)c1csc(N)n1)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H13N3O3S/c1-13(11(18)19,8-5-3-2-4-6-8)16-10(17)9-7-20-12(14)15-9/h2-7H,1H3,(H2,14,15)(H,16,17)(H,18,19)
InChIKeyCLJXNHAYRHELMM-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.46
Rot. Bonds4

About 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid

2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 62789159) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID62789159
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)c1csc(N)n1)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H13N3O3S/c1-13(11(18)19,8-5-3-2-4-6-8)16-10(17)9-7-20-12(14)15-9/h2-7H,1H3,(H2,14,15)(H,16,17)(H,18,19)
InChIKeyCLJXNHAYRHELMM-UHFFFAOYSA-N
XLogP1.46
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798918
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788446
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427982
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-[[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]amino]-2-phenylpropanoic acid
CID 136552825
2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 167810033
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
CID 62787046
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid
CID 90303324

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid (CID 62789159) is 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid is CC(NC(=O)c1csc(N)n1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is CLJXNHAYRHELMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-13(11(18)19,8-5-3-2-4-6-8)16-10(17)9-7-20-12(14)15-9/h2-7H,1H3,(H2,14,15)(H,16,17)(H,18,19).
What are the key properties of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid?
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 291.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62789159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).