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

C10H17N3O2S — CID 80569882

IUPAC2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NCC(C)N(C)C)sc1C(=O)O
InChIInChI=1S/C10H17N3O2S/c1-6(13(3)4)5-11-10-12-7(2)8(16-10)9(14)15/h6H,5H2,1-4H3,(H,11,12)(H,14,15)
InChIKeyPYTOQURFVWZGDZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.51
Rot. Bonds5

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

2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 80569882) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID80569882
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NCC(C)N(C)C)sc1C(=O)O
InChIInChI=1S/C10H17N3O2S/c1-6(13(3)4)5-11-10-12-7(2)8(16-10)9(14)15/h6H,5H2,1-4H3,(H,11,12)(H,14,15)
InChIKeyPYTOQURFVWZGDZ-UHFFFAOYSA-N
XLogP1.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylamino)butylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569635
2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106343034
4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80569513
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 28803672
2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570104
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 84761860
2-(3-methoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154626
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570707
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80569708
2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570132
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106347379

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 80569882) is 2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NCC(C)N(C)C)sc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is PYTOQURFVWZGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(13(3)4)5-11-10-12-7(2)8(16-10)9(14)15/h6H,5H2,1-4H3,(H,11,12)(H,14,15).
What are the key properties of 2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 243.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80569882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).