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

C8H12N2O2S — CID 79019725

IUPAC2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(N(C)C)sc1CC(=O)O
InChIInChI=1S/C8H12N2O2S/c1-5-6(4-7(11)12)13-8(9-5)10(2)3/h4H2,1-3H3,(H,11,12)
InChIKeyXQGBQLJBZABVFJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.14
Rot. Bonds3

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

2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 79019725) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID79019725
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(N(C)C)sc1CC(=O)O
InChIInChI=1S/C8H12N2O2S/c1-5-6(4-7(11)12)13-8(9-5)10(2)3/h4H2,1-3H3,(H,11,12)
InChIKeyXQGBQLJBZABVFJ-UHFFFAOYSA-N
XLogP1.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 79019725) is 2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1nc(N(C)C)sc1CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is XQGBQLJBZABVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-6(4-7(11)12)13-8(9-5)10(2)3/h4H2,1-3H3,(H,11,12).
What are the key properties of 2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 200.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 79019725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).