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

C7H10N2O2S — CID 82225421

IUPAC2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N)sc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-2-3-4-5(6(10)11)12-7(8)9-4/h2-3H2,1H3,(H2,8,9)(H,10,11)
InChIKeyGXDBIGZRURDVLC-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.38
Rot. Bonds3

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

2-amino-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82225421) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-amino-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID82225421
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N)sc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-2-3-4-5(6(10)11)12-7(8)9-4/h2-3H2,1H3,(H2,8,9)(H,10,11)
InChIKeyGXDBIGZRURDVLC-UHFFFAOYSA-N
XLogP1.38
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-propyl-1,3-thiazole-5-carboxylic acid (CID 82225421) is 2-amino-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N)sc1C(=O)O.
What is the InChIKey of 2-amino-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GXDBIGZRURDVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-4-5(6(10)11)12-7(8)9-4/h2-3H2,1H3,(H2,8,9)(H,10,11).
What are the key properties of 2-amino-4-propyl-1,3-thiazole-5-carboxylic acid?
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82225421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).