N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide

C16H16N2O2S — CID 123521673

IUPACN-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide
SMILESC=CC1=CC(=C)N=C(NC(=O)C(OC)c2ccccc2)S1
InChIInChI=1S/C16H16N2O2S/c1-4-13-10-11(2)17-16(21-13)18-15(19)14(20-3)12-8-6-5-7-9-12/h4-10,14H,1-2H2,3H3,(H,17,18,19)
InChIKeyYIROHGGZBRVIHM-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.18
Rot. Bonds4

About N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide

N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide (PubChem CID 123521673) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide
PubChem CID123521673
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide
SMILESC=CC1=CC(=C)N=C(NC(=O)C(OC)c2ccccc2)S1
InChIInChI=1S/C16H16N2O2S/c1-4-13-10-11(2)17-16(21-13)18-15(19)14(20-3)12-8-6-5-7-9-12/h4-10,14H,1-2H2,3H3,(H,17,18,19)
InChIKeyYIROHGGZBRVIHM-UHFFFAOYSA-N
XLogP3.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide (CID 123521673) is N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide is C=CC1=CC(=C)N=C(NC(=O)C(OC)c2ccccc2)S1.
What is the InChIKey of N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is YIROHGGZBRVIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-4-13-10-11(2)17-16(21-13)18-15(19)14(20-3)12-8-6-5-7-9-12/h4-10,14H,1-2H2,3H3,(H,17,18,19).
What are the key properties of N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide?
N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 300.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethenyl-4-methylidene-1,3-thiazin-2-yl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 123521673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).