2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid

C9H14N2O2S — CID 116887386

IUPAC2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid
SMILESCCc1nc(C)c(C(NC)C(=O)O)s1
InChIInChI=1S/C9H14N2O2S/c1-4-6-11-5(2)8(14-6)7(10-3)9(12)13/h7,10H,4H2,1-3H3,(H,12,13)
InChIKeyIDPNIVCWSFFEGJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.36
Rot. Bonds4

About 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid

2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid (PubChem CID 116887386) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid
PubChem CID116887386
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid
SMILESCCc1nc(C)c(C(NC)C(=O)O)s1
InChIInChI=1S/C9H14N2O2S/c1-4-6-11-5(2)8(14-6)7(10-3)9(12)13/h7,10H,4H2,1-3H3,(H,12,13)
InChIKeyIDPNIVCWSFFEGJ-UHFFFAOYSA-N
XLogP1.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid (CID 116887386) is 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid is CCc1nc(C)c(C(NC)C(=O)O)s1.
What is the InChIKey of 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid?
The InChIKey is IDPNIVCWSFFEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-6-11-5(2)8(14-6)7(10-3)9(12)13/h7,10H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid?
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid has a molecular weight of 214.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid is sourced from PubChem (CID 116887386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).