1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one

C10H7NO2S — CID 67074004

IUPAC1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
SMILESO=C(C=Cc1cncs1)c1ccco1
InChIInChI=1S/C10H7NO2S/c12-9(10-2-1-5-13-10)4-3-8-6-11-7-14-8/h1-7H
InChIKeyOTCXYUMBHMHHRZ-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.63
Rot. Bonds3

About 1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one

1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one (PubChem CID 67074004) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
PubChem CID67074004
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
SMILESO=C(C=Cc1cncs1)c1ccco1
InChIInChI=1S/C10H7NO2S/c12-9(10-2-1-5-13-10)4-3-8-6-11-7-14-8/h1-7H
InChIKeyOTCXYUMBHMHHRZ-UHFFFAOYSA-N
XLogP2.63
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of 1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one (CID 67074004) is 1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one is O=C(C=Cc1cncs1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
The InChIKey is OTCXYUMBHMHHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-9(10-2-1-5-13-10)4-3-8-6-11-7-14-8/h1-7H.
What are the key properties of 1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one has a molecular weight of 205.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 67074004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).