2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid

C8H11NO3S — CID 116705404

IUPAC2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid
SMILESCCC(OC)c1ncc(C(=O)O)s1
InChIInChI=1S/C8H11NO3S/c1-3-5(12-2)7-9-4-6(13-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyORTOTNKKZGCXIL-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.94
Rot. Bonds4

About 2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid

2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 116705404) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid
PubChem CID116705404
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid
SMILESCCC(OC)c1ncc(C(=O)O)s1
InChIInChI=1S/C8H11NO3S/c1-3-5(12-2)7-9-4-6(13-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyORTOTNKKZGCXIL-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methoxybutyl)-1,3-thiazol-5-yl]ethanone
CID 116727518
2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 54595729
N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 116727612
2-(4-bromo-1,2-dihydroxybutyl)-1,3-thiazole-5-carboxylic acid
CID 171891767
2-[1,2-dihydroxy-3-(methylamino)propyl]-1,3-thiazole-5-carboxylic acid
CID 171857713
2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 124567722
2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 66714979
2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80571095
2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole
CID 116734664
2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 164637639
2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754860
2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62775464

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid (CID 116705404) is 2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid is CCC(OC)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ORTOTNKKZGCXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-3-5(12-2)7-9-4-6(13-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid?
2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 201.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 116705404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).