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

C10H16N2O2S — CID 168719752

IUPAC2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-2-3-4-5-6-7-8(9(13)14)12-10(11)15-7/h2-6H2,1H3,(H2,11,12)(H,13,14)
InChIKeyFECUATPHGPYTQC-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.55
Rot. Bonds6

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

2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid (PubChem CID 168719752) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid
PubChem CID168719752
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-2-3-4-5-6-7-8(9(13)14)12-10(11)15-7/h2-6H2,1H3,(H2,11,12)(H,13,14)
InChIKeyFECUATPHGPYTQC-UHFFFAOYSA-N
XLogP2.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-propyl-4-phosphonomethoxycarbonylthiazole
CID 22280501
2-Amino-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
CID 71308099
2-Amino-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 18323129
2-Amino-5-pentyl-1,3-thiazole-4-carboxylic acid
CID 87190141
2-Amino-5-butyl-1,3-thiazole-4-carboxylic acid
CID 164664245
Methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
CID 86775516
2-Azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid
CID 168719751
2-Azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid
CID 168719753
5-Propyl-2-(2,2,2-trifluoroacetamido)-1,3-thiazole-4-carboxylic acid
CID 165907298
5-(2-Methylpropyl)-2-(2,2,2-trifluoroacetamido)-1,3-thiazole-4-carboxylic acid
CID 165921673
2-Amino-5-isopropylthiazole-4-carboxylic acid
CID 10058249
2-(Diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 10966253

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid (CID 168719752) is 2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid is CCCCCCc1sc(N)nc1C(=O)O.
What is the InChIKey of 2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is FECUATPHGPYTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-7-8(9(13)14)12-10(11)15-7/h2-6H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid?
2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 228.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hexyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 168719752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).