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

C8H11NO3S — CID 19885485

IUPAC2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(OC)sc1C(=O)O
InChIInChI=1S/C8H11NO3S/c1-3-4-5-6(7(10)11)13-8(9-5)12-2/h3-4H2,1-2H3,(H,10,11)
InChIKeyNJUCUWSSXYRUEW-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.80
Rot. Bonds4

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

2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 19885485) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID19885485
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(OC)sc1C(=O)O
InChIInChI=1S/C8H11NO3S/c1-3-4-5-6(7(10)11)13-8(9-5)12-2/h3-4H2,1-2H3,(H,10,11)
InChIKeyNJUCUWSSXYRUEW-UHFFFAOYSA-N
XLogP1.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid (CID 19885485) is 2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(OC)sc1C(=O)O.
What is the InChIKey of 2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is NJUCUWSSXYRUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-3-4-5-6(7(10)11)13-8(9-5)12-2/h3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid?
2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 201.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).