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

C15H18N2O2S — CID 62766149

IUPAC2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(C)c2ccccc2C)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S/c1-4-7-11-13(14(18)19)20-15(16-11)17(3)12-9-6-5-8-10(12)2/h5-6,8-9H,4,7H2,1-3H3,(H,18,19)
InChIKeyDZZHSTOETWLQBK-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.87
Rot. Bonds5

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

2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62766149) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID62766149
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(C)c2ccccc2C)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S/c1-4-7-11-13(14(18)19)20-15(16-11)17(3)12-9-6-5-8-10(12)2/h5-6,8-9H,4,7H2,1-3H3,(H,18,19)
InChIKeyDZZHSTOETWLQBK-UHFFFAOYSA-N
XLogP3.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 62766149) is 2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N(C)c2ccccc2C)sc1C(=O)O.
What is the InChIKey of 2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DZZHSTOETWLQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-7-11-13(14(18)19)20-15(16-11)17(3)12-9-6-5-8-10(12)2/h5-6,8-9H,4,7H2,1-3H3,(H,18,19).
What are the key properties of 2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62766149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).