N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C14H16N2O2S2 — CID 5115919

IUPACN-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H16N2O2S2/c1-18-8-7-15-13(17)10-20-14-16-12(9-19-14)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,15,17)
InChIKeySTIGYNWLNNWHTG-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.66
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 5115919) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID5115919
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H16N2O2S2/c1-18-8-7-15-13(17)10-20-14-16-12(9-19-14)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,15,17)
InChIKeySTIGYNWLNNWHTG-UHFFFAOYSA-N
XLogP2.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 5115919) is N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is COCCNC(=O)CSc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is STIGYNWLNNWHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-18-8-7-15-13(17)10-20-14-16-12(9-19-14)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 5115919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).