5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid

C14H16N2O3S — CID 64629880

IUPAC5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCC(C)Oc1cccc(Nc2scnc2C(=O)O)c1
InChIInChI=1S/C14H16N2O3S/c1-3-9(2)19-11-6-4-5-10(7-11)16-13-12(14(17)18)15-8-20-13/h4-9,16H,3H2,1-2H3,(H,17,18)
InChIKeyQPNRZNIQXGFESL-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.76
Rot. Bonds6

About 5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid

5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64629880) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64629880
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCC(C)Oc1cccc(Nc2scnc2C(=O)O)c1
InChIInChI=1S/C14H16N2O3S/c1-3-9(2)19-11-6-4-5-10(7-11)16-13-12(14(17)18)15-8-20-13/h4-9,16H,3H2,1-2H3,(H,17,18)
InChIKeyQPNRZNIQXGFESL-UHFFFAOYSA-N
XLogP3.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
CID 113305699
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64630275
2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62329609
3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 62325026
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
N-(3-butan-2-yloxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80908739
N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 62327894
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
ethyl 2-(3-butan-2-yloxyanilino)propanoate
CID 55208911
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374

Frequently Asked Questions

What is the IUPAC name of 5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid (CID 64629880) is 5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid is CCC(C)Oc1cccc(Nc2scnc2C(=O)O)c1.
What is the InChIKey of 5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is QPNRZNIQXGFESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-9(2)19-11-6-4-5-10(7-11)16-13-12(14(17)18)15-8-20-13/h4-9,16H,3H2,1-2H3,(H,17,18).
What are the key properties of 5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid?
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64629880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).