2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

C9H14N2O2S — CID 28690637

IUPAC2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C9H14N2O2S/c1-4-11(5-2)9-10-6(3)7(14-9)8(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKeyCIPKPNGMPXQRBG-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.00
Rot. Bonds4

About 2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 28690637) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID28690637
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C9H14N2O2S/c1-4-11(5-2)9-10-6(3)7(14-9)8(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKeyCIPKPNGMPXQRBG-UHFFFAOYSA-N
XLogP2.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 28690637) is 2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is CCN(CC)c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CIPKPNGMPXQRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-11(5-2)9-10-6(3)7(14-9)8(12)13/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 214.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 28690637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).