2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid

C13H14N2O3S — CID 25246412

IUPAC2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1CSC(Cc2ccccc2)=N1
InChIInChI=1S/C13H14N2O3S/c16-12(17)7-14-13(18)10-8-19-11(15-10)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyFAXHNPFDMCSKJX-JTQLQIEISA-N
MW278.33 g/mol
LogP0.94
Rot. Bonds5

About 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid

2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid (PubChem CID 25246412) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid
PubChem CID25246412
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1CSC(Cc2ccccc2)=N1
InChIInChI=1S/C13H14N2O3S/c16-12(17)7-14-13(18)10-8-19-11(15-10)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyFAXHNPFDMCSKJX-JTQLQIEISA-N
XLogP0.94
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid with MolForge

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Related Compounds

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CID 107816
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(S)-3-Benzylsulfanyl-2-((S)-3-mercapto-2-methyl-propionylamino)-propionic acid
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(R)-3-(benzylthio)-2-((S)-3-mercapto-2-methylpropanamido)propanoic acid
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N-Acetyl-S-benzylcysteine
CID 561045
N-[(S-(Z)-Phenylacetohydroximoyl)-L-cysteinyl]glycine
CID 25246410
S-benzyl-L-cysteinylglycine
CID 7019042
CID 25180079
CID 25180079
H-Cys(bzl)-gly-OH
CID 7019043
N-acetyl-S-benzyl-L-cysteine anion
CID 6950963
(2S)-3-benzylsulfanyl-2-(oxaloamino)propanoic acid
CID 45104128

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid (CID 25246412) is 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid is O=C(O)CNC(=O)[C@@H]1CSC(Cc2ccccc2)=N1.
What is the InChIKey of 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid?
The InChIKey is FAXHNPFDMCSKJX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-12(17)7-14-13(18)10-8-19-11(15-10)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid?
2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid has a molecular weight of 278.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 25246412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).