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

C13H14N2O2S2 — CID 5329705

IUPACN-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCCOc2ccccc2)s1
InChIInChI=1S/C13H14N2O2S2/c1-10(16)15-13-14-9-12(19-13)18-8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyVCJNEAXFDDEMAV-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.27
Rot. Bonds6

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

N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5329705) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide
PubChem CID5329705
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC NameN-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCCOc2ccccc2)s1
InChIInChI=1S/C13H14N2O2S2/c1-10(16)15-13-14-9-12(19-13)18-8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyVCJNEAXFDDEMAV-UHFFFAOYSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.27
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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Related Compounds

2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
1-(2-Phenoxy-ethyl)-3-thiazol-2-yl-thiourea
CID 3003029
Benzyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate
CID 5329662
4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 868642
4-(2-methoxyphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1631626
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678077
2-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 693869
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
N1-(1,3-thiazol-2-yl)-3-(4-fluorophenoxy)propanamide
CID 2739506
2-(4-ethoxyphenoxy)-N-1,3-thiazol-2-ylacetamide
CID 732622

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide (CID 5329705) is N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(SCCOc2ccccc2)s1.
What is the InChIKey of N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VCJNEAXFDDEMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-10(16)15-13-14-9-12(19-13)18-8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16).
What are the key properties of N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).