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

C16H20N2O2S — CID 51351630

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1cc(C(C)C)ccc1/C=C/C(=O)NC1=NCCS1
InChIInChI=1S/C16H20N2O2S/c1-11(2)13-5-4-12(14(10-13)20-3)6-7-15(19)18-16-17-8-9-21-16/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19)/b7-6+
InChIKeyRSTDJUZTDBGYEK-VOTSOKGWSA-N
MW304.42 g/mol
LogP3.05
Rot. Bonds4

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

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 51351630) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)prop-2-enamide
PubChem CID51351630
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1cc(C(C)C)ccc1/C=C/C(=O)NC1=NCCS1
InChIInChI=1S/C16H20N2O2S/c1-11(2)13-5-4-12(14(10-13)20-3)6-7-15(19)18-16-17-8-9-21-16/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19)/b7-6+
InChIKeyRSTDJUZTDBGYEK-VOTSOKGWSA-N
XLogP3.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.05
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 (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)prop-2-enamide (CID 51351630) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)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-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)prop-2-enamide is COc1cc(C(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-ylphenyl)prop-2-enamide?
The InChIKey is RSTDJUZTDBGYEK-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)13-5-4-12(14(10-13)20-3)6-7-15(19)18-16-17-8-9-21-16/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19)/b7-6+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 304.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-ylphenyl)prop-2-enamide is sourced from PubChem (CID 51351630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).