5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid

C7H8N2O2S — CID 169463339

IUPAC5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid
SMILESNCC=Cc1scnc1C(=O)O
InChIInChI=1S/C7H8N2O2S/c8-3-1-2-5-6(7(10)11)9-4-12-5/h1-2,4H,3,8H2,(H,10,11)
InChIKeyYFTPOTWKFOZZBS-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.81
Rot. Bonds3

About 5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid

5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 169463339) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid
PubChem CID169463339
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid
SMILESNCC=Cc1scnc1C(=O)O
InChIInChI=1S/C7H8N2O2S/c8-3-1-2-5-6(7(10)11)9-4-12-5/h1-2,4H,3,8H2,(H,10,11)
InChIKeyYFTPOTWKFOZZBS-UHFFFAOYSA-N
XLogP0.81
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid (CID 169463339) is 5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid is NCC=Cc1scnc1C(=O)O.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is YFTPOTWKFOZZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c8-3-1-2-5-6(7(10)11)9-4-12-5/h1-2,4H,3,8H2,(H,10,11).
What are the key properties of 5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid?
5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 184.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 169463339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).