N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide

C13H14N2OS2 — CID 5329681

IUPACN-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCCc2ccccc2)s1
InChIInChI=1S/C13H14N2OS2/c1-10(16)15-13-14-9-12(18-13)17-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyUNRBQAMMIPQNBN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.44
Rot. Bonds5

About N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide

N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5329681) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide
PubChem CID5329681
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC NameN-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCCc2ccccc2)s1
InChIInChI=1S/C13H14N2OS2/c1-10(16)15-13-14-9-12(18-13)17-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyUNRBQAMMIPQNBN-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide (CID 5329681) is N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(SCCc2ccccc2)s1.
What is the InChIKey of N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UNRBQAMMIPQNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-10(16)15-13-14-9-12(18-13)17-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16).
What are the key properties of N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylethylsulfanyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).