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

C4H6N2O2S — CID 16526

IUPAC2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESNC1=NC(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)
InChIKeyVHPXSBIFWDAFMB-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.50
Rot. Bonds1

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

2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 16526) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID16526
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESNC1=NC(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)
InChIKeyVHPXSBIFWDAFMB-UHFFFAOYSA-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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Related Compounds

2-(2-Amino-2-thiazolin-4-yl)acetic acid
CID 5216267
2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 155553507
2-[(4S)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 155556567
2-Amino-4,5-dihydro-1,3-thiazol-3-ium-4-carboxylate
CID 57339275
(2S)-2-(diaminomethylideneamino)-4-methylsulfanylbutanoic acid
CID 42253407
(4R)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 7272538
2-Aminothiazoline-4-carboxylic acid, (S)-
CID 7392083
2-Amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid;trihydrate
CID 44658139
(4S)-2-amino-4,5-dihydro-1,3-thiazol-3-ium-4-carboxylate
CID 51520636
(4R)-2-amino-4,5-dihydro-1,3-thiazol-3-ium-4-carboxylate
CID 51569052
Methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 19385522
2-Amino-4,5-dihydro-1,3-thiazole-5-carboxylic acid
CID 13708433

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 16526) is 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid is NC1=NC(C(=O)O)CS1.
What is the InChIKey of 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is VHPXSBIFWDAFMB-UHFFFAOYSA-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).
What are the key properties of 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
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 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 16526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).