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

C12H11N3O3S — CID 62787046

IUPAC2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
SMILESNc1nc(C(=O)NC(C(=O)O)c2ccccc2)cs1
InChIInChI=1S/C12H11N3O3S/c13-12-14-8(6-19-12)10(16)15-9(11(17)18)7-4-2-1-3-5-7/h1-6,9H,(H2,13,14)(H,15,16)(H,17,18)
InChIKeyDMCKYLPJMUCUJC-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.28
Rot. Bonds4

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

2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid (PubChem CID 62787046) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
PubChem CID62787046
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
SMILESNc1nc(C(=O)NC(C(=O)O)c2ccccc2)cs1
InChIInChI=1S/C12H11N3O3S/c13-12-14-8(6-19-12)10(16)15-9(11(17)18)7-4-2-1-3-5-7/h1-6,9H,(H2,13,14)(H,15,16)(H,17,18)
InChIKeyDMCKYLPJMUCUJC-UHFFFAOYSA-N
XLogP1.28
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
CID 66390847
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
CID 99702625
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 62788085
2-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81379895
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78835538
2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55116256
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81360148
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid (CID 62787046) is 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid is Nc1nc(C(=O)NC(C(=O)O)c2ccccc2)cs1.
What is the InChIKey of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is DMCKYLPJMUCUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c13-12-14-8(6-19-12)10(16)15-9(11(17)18)7-4-2-1-3-5-7/h1-6,9H,(H2,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid?
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 277.31 g/mol, XLogP of 1.28, 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-phenylacetic acid is sourced from PubChem (CID 62787046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).