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

C5H8N2O2S — CID 155553507

IUPAC2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
SMILESNC1=N[C@H](CC(=O)O)CS1
InChIInChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)/t3-/m1/s1
InChIKeyANCWBXJZUCHVHL-GSVOUGTGSA-N
MW160.20 g/mol
LogP-0.11
Rot. Bonds2

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

2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid (PubChem CID 155553507) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
PubChem CID155553507
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
SMILESNC1=N[C@H](CC(=O)O)CS1
InChIInChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)/t3-/m1/s1
InChIKeyANCWBXJZUCHVHL-GSVOUGTGSA-N
XLogP-0.11
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid (CID 155553507) is 2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid is NC1=N[C@H](CC(=O)O)CS1.
What is the InChIKey of 2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ANCWBXJZUCHVHL-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)/t3-/m1/s1.
What are the key properties of 2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid has a molecular weight of 160.20 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 155553507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).