4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid

C10H16N2O2S — CID 83893330

IUPAC4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid
SMILESCc1nc(N(C)C)sc1CCCC(=O)O
InChIInChI=1S/C10H16N2O2S/c1-7-8(5-4-6-9(13)14)15-10(11-7)12(2)3/h4-6H2,1-3H3,(H,13,14)
InChIKeyPPZQMJRGCWZSFJ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.92
Rot. Bonds5

About 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid

4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid (PubChem CID 83893330) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid
PubChem CID83893330
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid
SMILESCc1nc(N(C)C)sc1CCCC(=O)O
InChIInChI=1S/C10H16N2O2S/c1-7-8(5-4-6-9(13)14)15-10(11-7)12(2)3/h4-6H2,1-3H3,(H,13,14)
InChIKeyPPZQMJRGCWZSFJ-UHFFFAOYSA-N
XLogP1.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid?
The IUPAC name of 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid (CID 83893330) is 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid is Cc1nc(N(C)C)sc1CCCC(=O)O.
What is the InChIKey of 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid?
The InChIKey is PPZQMJRGCWZSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-8(5-4-6-9(13)14)15-10(11-7)12(2)3/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid?
4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid is sourced from PubChem (CID 83893330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).