4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid

C15H16N2O2S — CID 63916041

IUPAC4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(N(C)c2nc(C3CC3)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H16N2O2S/c1-9-3-7-11(8-4-9)17(2)15-16-12(10-5-6-10)13(20-15)14(18)19/h3-4,7-8,10H,5-6H2,1-2H3,(H,18,19)
InChIKeyFKNKSBLLXLTLON-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.80
Rot. Bonds4

About 4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 63916041) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID63916041
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(N(C)c2nc(C3CC3)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H16N2O2S/c1-9-3-7-11(8-4-9)17(2)15-16-12(10-5-6-10)13(20-15)14(18)19/h3-4,7-8,10H,5-6H2,1-2H3,(H,18,19)
InChIKeyFKNKSBLLXLTLON-UHFFFAOYSA-N
XLogP3.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid (CID 63916041) is 4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid is Cc1ccc(N(C)c2nc(C3CC3)c(C(=O)O)s2)cc1.
What is the InChIKey of 4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is FKNKSBLLXLTLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-3-7-11(8-4-9)17(2)15-16-12(10-5-6-10)13(20-15)14(18)19/h3-4,7-8,10H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63916041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).