(4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C4H6N2O2S — CID 7272538

IUPAC(4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESNC1=N[C@H](C(=O)O)CS1
InChIInChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)/t2-/m0/s1
InChIKeyVHPXSBIFWDAFMB-REOHCLBHSA-N
MW146.17 g/mol
LogP-0.50
Rot. Bonds1

About (4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 7272538) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is (4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID7272538
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name(4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESNC1=N[C@H](C(=O)O)CS1
InChIInChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)/t2-/m0/s1
InChIKeyVHPXSBIFWDAFMB-REOHCLBHSA-N
XLogP-0.50
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 7272538) is (4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid is NC1=N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is VHPXSBIFWDAFMB-REOHCLBHSA-N. The full InChI is InChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)/t2-/m0/s1.
What are the key properties of (4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 146.17 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 7272538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).