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

C8H12N2O2S2 — CID 5329706

IUPACN-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCOCCSc1cnc(NC(C)=O)s1
InChIInChI=1S/C8H12N2O2S2/c1-6(11)10-8-9-5-7(14-8)13-4-3-12-2/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyOEJQKSUNTTYOTC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.84
Rot. Bonds5

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

N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5329706) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide
PubChem CID5329706
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC NameN-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCOCCSc1cnc(NC(C)=O)s1
InChIInChI=1S/C8H12N2O2S2/c1-6(11)10-8-9-5-7(14-8)13-4-3-12-2/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyOEJQKSUNTTYOTC-UHFFFAOYSA-N
XLogP1.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.84
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-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide (CID 5329706) is N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide is COCCSc1cnc(NC(C)=O)s1.
What is the InChIKey of N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OEJQKSUNTTYOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-6(11)10-8-9-5-7(14-8)13-4-3-12-2/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 232.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethylsulfanyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).