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

C7H10N2O2S — CID 46784209

IUPAC2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid
SMILESCc1cnc(CNCC(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-5-2-9-6(12-5)3-8-4-7(10)11/h2,8H,3-4H2,1H3,(H,10,11)
InChIKeyOFCICLCBZWHYMG-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.63
Rot. Bonds4

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

2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid (PubChem CID 46784209) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid
PubChem CID46784209
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid
SMILESCc1cnc(CNCC(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-5-2-9-6(12-5)3-8-4-7(10)11/h2,8H,3-4H2,1H3,(H,10,11)
InChIKeyOFCICLCBZWHYMG-UHFFFAOYSA-N
XLogP0.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid (CID 46784209) is 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid is Cc1cnc(CNCC(=O)O)s1.
What is the InChIKey of 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid?
The InChIKey is OFCICLCBZWHYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5-2-9-6(12-5)3-8-4-7(10)11/h2,8H,3-4H2,1H3,(H,10,11).
What are the key properties of 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid?
2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid has a molecular weight of 186.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-thiazol-2-yl)methylamino]acetic acid is sourced from PubChem (CID 46784209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).