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

C6H10N2O2S — CID 4052731

IUPAC2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid
SMILESCC1CN=C(NCC(=O)O)S1
InChIInChI=1S/C6H10N2O2S/c1-4-2-7-6(11-4)8-3-5(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyDUQSHHJZBYIFIF-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.15
Rot. Bonds2

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

2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 4052731) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid
PubChem CID4052731
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid
SMILESCC1CN=C(NCC(=O)O)S1
InChIInChI=1S/C6H10N2O2S/c1-4-2-7-6(11-4)8-3-5(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyDUQSHHJZBYIFIF-UHFFFAOYSA-N
XLogP0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid (CID 4052731) is 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid is CC1CN=C(NCC(=O)O)S1.
What is the InChIKey of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is DUQSHHJZBYIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-4-2-7-6(11-4)8-3-5(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid?
2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 174.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 4052731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).