2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid

C9H12N2O3S — CID 83840029

IUPAC2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)c1nc2c(s1)COCC2
InChIInChI=1S/C9H12N2O3S/c1-11(4-8(12)13)9-10-6-2-3-14-5-7(6)15-9/h2-5H2,1H3,(H,12,13)
InChIKeyQRTPCSFLSCBEDQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.74
Rot. Bonds3

About 2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid

2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid (PubChem CID 83840029) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid
PubChem CID83840029
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)c1nc2c(s1)COCC2
InChIInChI=1S/C9H12N2O3S/c1-11(4-8(12)13)9-10-6-2-3-14-5-7(6)15-9/h2-5H2,1H3,(H,12,13)
InChIKeyQRTPCSFLSCBEDQ-UHFFFAOYSA-N
XLogP0.74
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid?
The IUPAC name of 2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid (CID 83840029) is 2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid?
The canonical SMILES for 2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid is CN(CC(=O)O)c1nc2c(s1)COCC2.
What is the InChIKey of 2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid?
The InChIKey is QRTPCSFLSCBEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-11(4-8(12)13)9-10-6-2-3-14-5-7(6)15-9/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid?
2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid has a molecular weight of 228.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid is sourced from PubChem (CID 83840029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).