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

C9H14N2O2S — CID 115422730

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

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

2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115422730) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115422730
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCN(CC)c1nc(C(=O)O)c(C)s1
InChIInChI=1S/C9H14N2O2S/c1-4-11(5-2)9-10-7(8(12)13)6(3)14-9/h4-5H2,1-3H3,(H,12,13)
InChIKeyBUWDIDJVGOPEPC-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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Related Compounds

2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423388
5-methyl-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 115423620
2-(N,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423841
5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 115424607
2-butyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422683
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
2-(diethylamino)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360442
5-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 115424466
5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
CID 117097221
2-[(5-bromothiophen-3-yl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424057
5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid
CID 165440223
5-acetyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697143

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115422730) is 2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is CCN(CC)c1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is BUWDIDJVGOPEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-11(5-2)9-10-7(8(12)13)6(3)14-9/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(diethylamino)-5-methyl-1,3-thiazole-4-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)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115422730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).