2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C13H22N2O2S — CID 39161161

IUPAC2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCCN(CCC)CCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C13H22N2O2S/c1-4-7-15(8-5-2)9-6-11-14-10(3)12(18-11)13(16)17/h4-9H2,1-3H3,(H,16,17)
InChIKeyNIWUQVCDJVDDEJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.81
Rot. Bonds8

About 2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 39161161) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID39161161
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCCN(CCC)CCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C13H22N2O2S/c1-4-7-15(8-5-2)9-6-11-14-10(3)12(18-11)13(16)17/h4-9H2,1-3H3,(H,16,17)
InChIKeyNIWUQVCDJVDDEJ-UHFFFAOYSA-N
XLogP2.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 39161161) is 2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is CCCN(CCC)CCc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is NIWUQVCDJVDDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-7-15(8-5-2)9-6-11-14-10(3)12(18-11)13(16)17/h4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 270.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 39161161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).