2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid

C10H15N3O3S — CID 106280433

IUPAC2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCNC(=O)C(C)(C)CNc1ncc(C(=O)O)s1
InChIInChI=1S/C10H15N3O3S/c1-10(2,8(16)11-3)5-13-9-12-4-6(17-9)7(14)15/h4H,5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyAVYUHYYORXZYGU-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.03
Rot. Bonds5

About 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid

2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 106280433) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID106280433
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCNC(=O)C(C)(C)CNc1ncc(C(=O)O)s1
InChIInChI=1S/C10H15N3O3S/c1-10(2,8(16)11-3)5-13-9-12-4-6(17-9)7(14)15/h4H,5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyAVYUHYYORXZYGU-UHFFFAOYSA-N
XLogP1.03
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid (CID 106280433) is 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid is CNC(=O)C(C)(C)CNc1ncc(C(=O)O)s1.
What is the InChIKey of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is AVYUHYYORXZYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-10(2,8(16)11-3)5-13-9-12-4-6(17-9)7(14)15/h4H,5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid?
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106280433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).