5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

C9H15N3O2S — CID 79402590

IUPAC5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NCCN(C)C)c1C(=O)O
InChIInChI=1S/C9H15N3O2S/c1-6-7(9(13)14)8(15-11-6)10-4-5-12(2)3/h10H,4-5H2,1-3H3,(H,13,14)
InChIKeyWDTKXLPYWLPABR-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.12
Rot. Bonds5

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

5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402590) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402590
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NCCN(C)C)c1C(=O)O
InChIInChI=1S/C9H15N3O2S/c1-6-7(9(13)14)8(15-11-6)10-4-5-12(2)3/h10H,4-5H2,1-3H3,(H,13,14)
InChIKeyWDTKXLPYWLPABR-UHFFFAOYSA-N
XLogP1.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402590) is 5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NCCN(C)C)c1C(=O)O.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is WDTKXLPYWLPABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-7(9(13)14)8(15-11-6)10-4-5-12(2)3/h10H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 229.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).