2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid

C6H10N2O2S — CID 155567178

IUPAC2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
SMILESC[C@@H]1SC(N)=N[C@@H]1CC(=O)O
InChIInChI=1S/C6H10N2O2S/c1-3-4(2-5(9)10)8-6(7)11-3/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)/t3-,4+/m0/s1
InChIKeyMQFCGOLHKFXDRZ-IUYQGCFVSA-N
MW174.22 g/mol
LogP0.28
Rot. Bonds2

About 2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid

2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid (PubChem CID 155567178) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
PubChem CID155567178
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
SMILESC[C@@H]1SC(N)=N[C@@H]1CC(=O)O
InChIInChI=1S/C6H10N2O2S/c1-3-4(2-5(9)10)8-6(7)11-3/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)/t3-,4+/m0/s1
InChIKeyMQFCGOLHKFXDRZ-IUYQGCFVSA-N
XLogP0.28
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid (CID 155567178) is 2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid is C[C@@H]1SC(N)=N[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MQFCGOLHKFXDRZ-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-3-4(2-5(9)10)8-6(7)11-3/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)/t3-,4+/m0/s1.
What are the key properties of 2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid has a molecular weight of 174.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 155567178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).