4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine

C16H16N2O2S2 — CID 135810143

IUPAC4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine
SMILESCC1=C(c2ccccc2)S(=O)(=O)N/C1=N\CCc1cccs1
InChIInChI=1S/C16H16N2O2S2/c1-12-15(13-6-3-2-4-7-13)22(19,20)18-16(12)17-10-9-14-8-5-11-21-14/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyYUFNFTZPTAWYFA-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.05
Rot. Bonds4

About 4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine

4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine (PubChem CID 135810143) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine.

Molecular Properties

Compound Name4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine
PubChem CID135810143
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine
SMILESCC1=C(c2ccccc2)S(=O)(=O)N/C1=N\CCc1cccs1
InChIInChI=1S/C16H16N2O2S2/c1-12-15(13-6-3-2-4-7-13)22(19,20)18-16(12)17-10-9-14-8-5-11-21-14/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyYUFNFTZPTAWYFA-UHFFFAOYSA-N
XLogP3.05
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine?
The IUPAC name of 4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine (CID 135810143) is 4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine.
What is the SMILES notation for 4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine?
The canonical SMILES for 4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine is CC1=C(c2ccccc2)S(=O)(=O)N/C1=N\CCc1cccs1.
What is the InChIKey of 4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine?
The InChIKey is YUFNFTZPTAWYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-12-15(13-6-3-2-4-7-13)22(19,20)18-16(12)17-10-9-14-8-5-11-21-14/h2-8,11H,9-10H2,1H3,(H,17,18).
What are the key properties of 4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine?
4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine has a molecular weight of 332.45 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 4-methyl-1,1-dioxo-5-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazol-3-imine is sourced from PubChem (CID 135810143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).