2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid

C8H10N2O3S — CID 43354386

IUPAC2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
SMILESCc1nc(CC(=O)NCC(=O)O)cs1
InChIInChI=1S/C8H10N2O3S/c1-5-10-6(4-14-5)2-7(11)9-3-8(12)13/h4H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyJOHVRTQUUQEQQW-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.19
Rot. Bonds4

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

2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid (PubChem CID 43354386) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
PubChem CID43354386
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
SMILESCc1nc(CC(=O)NCC(=O)O)cs1
InChIInChI=1S/C8H10N2O3S/c1-5-10-6(4-14-5)2-7(11)9-3-8(12)13/h4H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyJOHVRTQUUQEQQW-UHFFFAOYSA-N
XLogP0.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid (CID 43354386) is 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid is Cc1nc(CC(=O)NCC(=O)O)cs1.
What is the InChIKey of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The InChIKey is JOHVRTQUUQEQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-5-10-6(4-14-5)2-7(11)9-3-8(12)13/h4H,2-3H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid has a molecular weight of 214.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43354386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).