5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid

C10H12N2O2S — CID 106215466

IUPAC5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid
SMILESC#CCCCCNc1scnc1C(=O)O
InChIInChI=1S/C10H12N2O2S/c1-2-3-4-5-6-11-9-8(10(13)14)12-7-15-9/h1,7,11H,3-6H2,(H,13,14)
InChIKeyXOVZMPIQXZEKTQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.06
Rot. Bonds6

About 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid

5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106215466) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID106215466
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid
SMILESC#CCCCCNc1scnc1C(=O)O
InChIInChI=1S/C10H12N2O2S/c1-2-3-4-5-6-11-9-8(10(13)14)12-7-15-9/h1,7,11H,3-6H2,(H,13,14)
InChIKeyXOVZMPIQXZEKTQ-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid
CID 106209029
5-(5-methylhexylamino)-1,3-thiazole-4-carboxylic acid
CID 115327010
5-(propylamino)-1,3-thiazole-4-carboxylic acid
CID 64631089
5-(2-methoxyethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631291
5-(2-methylsulfanylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629683
5-[[3-(tert-butylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylic acid
CID 113411095
5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64628892
5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629476
2-chloro-6-(hex-5-ynylamino)pyridine-4-carboxylic acid
CID 106213782
5-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64631108
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-(hex-5-ynylamino)pyridazine-3-carboxylic acid
CID 106213762

Frequently Asked Questions

What is the IUPAC name of 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid (CID 106215466) is 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid is C#CCCCCNc1scnc1C(=O)O.
What is the InChIKey of 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XOVZMPIQXZEKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-2-3-4-5-6-11-9-8(10(13)14)12-7-15-9/h1,7,11H,3-6H2,(H,13,14).
What are the key properties of 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid?
5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106215466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).