(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide

C16H20N2O3S — CID 51351619

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCOc1cc(OC(C)C)ccc1/C=C/C(=O)NC1=NCCS1
InChIInChI=1S/C16H20N2O3S/c1-11(2)21-13-6-4-12(14(10-13)20-3)5-7-15(19)18-16-17-8-9-22-16/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19)/b7-5+
InChIKeySYFUSLCTJMJFGO-FNORWQNLSA-N
MW320.41 g/mol
LogP2.71
Rot. Bonds5

About (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 51351619) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID51351619
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCOc1cc(OC(C)C)ccc1/C=C/C(=O)NC1=NCCS1
InChIInChI=1S/C16H20N2O3S/c1-11(2)21-13-6-4-12(14(10-13)20-3)5-7-15(19)18-16-17-8-9-22-16/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19)/b7-5+
InChIKeySYFUSLCTJMJFGO-FNORWQNLSA-N
XLogP2.71
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide (CID 51351619) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide is COc1cc(OC(C)C)ccc1/C=C/C(=O)NC1=NCCS1.
What is the InChIKey of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is SYFUSLCTJMJFGO-FNORWQNLSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11(2)21-13-6-4-12(14(10-13)20-3)5-7-15(19)18-16-17-8-9-22-16/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19)/b7-5+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 320.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 51351619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).