2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide

C13H16N2O2S2 — CID 2343710

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSC1=NCCS1
InChIInChI=1S/C13H16N2O2S2/c1-17-11-5-3-2-4-10(11)8-15-12(16)9-19-13-14-6-7-18-13/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyJPBPDUVRZCHYBH-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.15
Rot. Bonds5

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 2343710) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID2343710
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSC1=NCCS1
InChIInChI=1S/C13H16N2O2S2/c1-17-11-5-3-2-4-10(11)8-15-12(16)9-19-13-14-6-7-18-13/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyJPBPDUVRZCHYBH-UHFFFAOYSA-N
XLogP2.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 2343710) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CSC1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is JPBPDUVRZCHYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-17-11-5-3-2-4-10(11)8-15-12(16)9-19-13-14-6-7-18-13/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 296.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2343710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).