(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide

C10H10N2O2S — CID 2254873

IUPAC(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)NC1=NCCS1
InChIInChI=1S/C10H10N2O2S/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-4,6H,5,7H2,(H,11,12,13)/b4-3-
InChIKeyBBEAIGJIRKWZLO-ARJAWSKDSA-N
MW222.27 g/mol
LogP1.51
Rot. Bonds2

About (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide

(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 2254873) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID2254873
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)NC1=NCCS1
InChIInChI=1S/C10H10N2O2S/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-4,6H,5,7H2,(H,11,12,13)/b4-3-
InChIKeyBBEAIGJIRKWZLO-ARJAWSKDSA-N
XLogP1.51
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
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 (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide (CID 2254873) is (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C\c1ccco1)NC1=NCCS1.
What is the InChIKey of (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is BBEAIGJIRKWZLO-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-4,6H,5,7H2,(H,11,12,13)/b4-3-.
What are the key properties of (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 222.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2254873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).