1,3-thiazol-4-yl propanoate

C6H7NO2S — CID 54353842

IUPAC1,3-thiazol-4-yl propanoate
SMILESCCC(=O)Oc1cscn1
InChIInChI=1S/C6H7NO2S/c1-2-6(8)9-5-3-10-4-7-5/h3-4H,2H2,1H3
InChIKeyUHRXMHNADRAFIS-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.46
Rot. Bonds2

About 1,3-thiazol-4-yl propanoate

1,3-thiazol-4-yl propanoate (PubChem CID 54353842) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 1,3-thiazol-4-yl propanoate.

Molecular Properties

Compound Name1,3-thiazol-4-yl propanoate
PubChem CID54353842
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name1,3-thiazol-4-yl propanoate
SMILESCCC(=O)Oc1cscn1
InChIInChI=1S/C6H7NO2S/c1-2-6(8)9-5-3-10-4-7-5/h3-4H,2H2,1H3
InChIKeyUHRXMHNADRAFIS-UHFFFAOYSA-N
XLogP1.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl propanoate?
The IUPAC name of 1,3-thiazol-4-yl propanoate (CID 54353842) is 1,3-thiazol-4-yl propanoate.
What is the SMILES notation for 1,3-thiazol-4-yl propanoate?
The canonical SMILES for 1,3-thiazol-4-yl propanoate is CCC(=O)Oc1cscn1.
What is the InChIKey of 1,3-thiazol-4-yl propanoate?
The InChIKey is UHRXMHNADRAFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-2-6(8)9-5-3-10-4-7-5/h3-4H,2H2,1H3.
What are the key properties of 1,3-thiazol-4-yl propanoate?
1,3-thiazol-4-yl propanoate has a molecular weight of 157.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl propanoate is sourced from PubChem (CID 54353842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).