acetic acid;1,3-thiazole

C5H7NO2S — CID 67461844

IUPACacetic acid;1,3-thiazole
SMILESCC(=O)O.c1cscn1
InChIInChI=1S/C3H3NS.C2H4O2/c1-2-5-3-4-1;1-2(3)4/h1-3H;1H3,(H,3,4)
InChIKeyBYHXLDZDSZVDJH-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.23
Rot. Bonds

About acetic acid;1,3-thiazole

acetic acid;1,3-thiazole (PubChem CID 67461844) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is acetic acid;1,3-thiazole.

Molecular Properties

Compound Nameacetic acid;1,3-thiazole
PubChem CID67461844
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Nameacetic acid;1,3-thiazole
SMILESCC(=O)O.c1cscn1
InChIInChI=1S/C3H3NS.C2H4O2/c1-2-5-3-4-1;1-2(3)4/h1-3H;1H3,(H,3,4)
InChIKeyBYHXLDZDSZVDJH-UHFFFAOYSA-N
XLogP1.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxythiazole
CID 61809
2-Methoxythiazole
CID 575451
1,3-Thiazole-2-carboxylic acid
CID 2762733
Methyl thiazole-2-carboxylate
CID 7567660
2-Thiazoleacetic acid
CID 21220663
3-(1,3-Thiazol-2-yl)prop-2-ynoic acid
CID 131171922
Thiazole-water
CID 18680725
Thiazol-2yl carbamate
CID 22352149
1,3-Thiazol-2-yl formate
CID 53658866
2-Thiazolol, 2-acetate
CID 53740678
Aminothiazole acetate
CID 87186563
Thiazole oxalate
CID 89780899

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3-thiazole?
The IUPAC name of acetic acid;1,3-thiazole (CID 67461844) is acetic acid;1,3-thiazole.
What is the SMILES notation for acetic acid;1,3-thiazole?
The canonical SMILES for acetic acid;1,3-thiazole is CC(=O)O.c1cscn1.
What is the InChIKey of acetic acid;1,3-thiazole?
The InChIKey is BYHXLDZDSZVDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS.C2H4O2/c1-2-5-3-4-1;1-2(3)4/h1-3H;1H3,(H,3,4).
What are the key properties of acetic acid;1,3-thiazole?
acetic acid;1,3-thiazole has a molecular weight of 145.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3-thiazole is sourced from PubChem (CID 67461844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).