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

C8H12N2O3S — CID 103199986

IUPAC5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid
SMILESCOCCCc1nc(C(=O)O)c(N)s1
InChIInChI=1S/C8H12N2O3S/c1-13-4-2-3-5-10-6(8(11)12)7(9)14-5/h2-4,9H2,1H3,(H,11,12)
InChIKeyIOICPHAJLJGUGO-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.00
Rot. Bonds5

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

5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 103199986) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid
PubChem CID103199986
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid
SMILESCOCCCc1nc(C(=O)O)c(N)s1
InChIInChI=1S/C8H12N2O3S/c1-13-4-2-3-5-10-6(8(11)12)7(9)14-5/h2-4,9H2,1H3,(H,11,12)
InChIKeyIOICPHAJLJGUGO-UHFFFAOYSA-N
XLogP1.00
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid (CID 103199986) is 5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid is COCCCc1nc(C(=O)O)c(N)s1.
What is the InChIKey of 5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IOICPHAJLJGUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-13-4-2-3-5-10-6(8(11)12)7(9)14-5/h2-4,9H2,1H3,(H,11,12).
What are the key properties of 5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103199986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).