N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

C13H15N3O2S2 — CID 646147

IUPACN-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSC2=NCCS2)cc1
InChIInChI=1S/C13H15N3O2S2/c1-9(17)15-10-2-4-11(5-3-10)16-12(18)8-20-13-14-6-7-19-13/h2-5H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeySTKASSLIHRRYEW-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.42
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 646147) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID646147
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSC2=NCCS2)cc1
InChIInChI=1S/C13H15N3O2S2/c1-9(17)15-10-2-4-11(5-3-10)16-12(18)8-20-13-14-6-7-19-13/h2-5H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeySTKASSLIHRRYEW-UHFFFAOYSA-N
XLogP2.42
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 646147) is N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is CC(=O)Nc1ccc(NC(=O)CSC2=NCCS2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is STKASSLIHRRYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-9(17)15-10-2-4-11(5-3-10)16-12(18)8-20-13-14-6-7-19-13/h2-5H,6-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 309.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 646147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).