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

C9H14N2O2S — CID 87190141

IUPAC2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-2-3-4-5-6-7(8(12)13)11-9(10)14-6/h2-5H2,1H3,(H2,10,11)(H,12,13)
InChIKeyQDQHHDKQNJLCEQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.16
Rot. Bonds5

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

2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid (PubChem CID 87190141) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid
PubChem CID87190141
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-2-3-4-5-6-7(8(12)13)11-9(10)14-6/h2-5H2,1H3,(H2,10,11)(H,12,13)
InChIKeyQDQHHDKQNJLCEQ-UHFFFAOYSA-N
XLogP2.16
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid (CID 87190141) is 2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid is CCCCCc1sc(N)nc1C(=O)O.
What is the InChIKey of 2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is QDQHHDKQNJLCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-3-4-5-6-7(8(12)13)11-9(10)14-6/h2-5H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid?
2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 214.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-pentyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 87190141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).