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

C11H18N2O2S — CID 168719753

IUPAC2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCCCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-8-9(10(14)15)13-11(12)16-8/h2-7H2,1H3,(H2,12,13)(H,14,15)
InChIKeyREOSVLTUJCDFJX-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.94
Rot. Bonds7

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

2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid (PubChem CID 168719753) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid
PubChem CID168719753
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCCCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-8-9(10(14)15)13-11(12)16-8/h2-7H2,1H3,(H2,12,13)(H,14,15)
InChIKeyREOSVLTUJCDFJX-UHFFFAOYSA-N
XLogP2.94
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.94
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-hexyl-1,3-thiazole-4-carboxylic acid
CID 168719752
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-heptyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid (CID 168719753) is 2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid is CCCCCCCc1sc(N)nc1C(=O)O.
What is the InChIKey of 2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is REOSVLTUJCDFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-8-9(10(14)15)13-11(12)16-8/h2-7H2,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid?
2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 242.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-heptyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 168719753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).