2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid

C5H8N2O2S — CID 115012553

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid
SMILESO=C(O)CNC1=NCCS1
InChIInChI=1S/C5H8N2O2S/c8-4(9)3-7-5-6-1-2-10-5/h1-3H2,(H,6,7)(H,8,9)
InChIKeyVPMJPLWPIHNFMT-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.24
Rot. Bonds2

About 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid

2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid (PubChem CID 115012553) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid
PubChem CID115012553
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid
SMILESO=C(O)CNC1=NCCS1
InChIInChI=1S/C5H8N2O2S/c8-4(9)3-7-5-6-1-2-10-5/h1-3H2,(H,6,7)(H,8,9)
InChIKeyVPMJPLWPIHNFMT-UHFFFAOYSA-N
XLogP-0.24
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid (CID 115012553) is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid is O=C(O)CNC1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid?
The InChIKey is VPMJPLWPIHNFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c8-4(9)3-7-5-6-1-2-10-5/h1-3H2,(H,6,7)(H,8,9).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid?
2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid has a molecular weight of 160.20 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetic acid is sourced from PubChem (CID 115012553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).