2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

C15H14FN3O2S2 — CID 18168603

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H14FN3O2S2/c1-8-11(9(2)21-19-8)6-22-7-14(20)18-15-17-12-4-3-10(16)5-13(12)23-15/h3-5H,6-7H2,1-2H3,(H,17,18,20)
InChIKeyIYALDCPSUYIUJK-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.91
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 18168603) has the molecular formula C15H14FN3O2S2 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID18168603
Molecular FormulaC15H14FN3O2S2
Molecular Weight351.43 g/mol
Exact Mass351.05
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H14FN3O2S2/c1-8-11(9(2)21-19-8)6-22-7-14(20)18-15-17-12-4-3-10(16)5-13(12)23-15/h3-5H,6-7H2,1-2H3,(H,17,18,20)
InChIKeyIYALDCPSUYIUJK-UHFFFAOYSA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (CID 18168603) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is Cc1noc(C)c1CSCC(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is IYALDCPSUYIUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S2/c1-8-11(9(2)21-19-8)6-22-7-14(20)18-15-17-12-4-3-10(16)5-13(12)23-15/h3-5H,6-7H2,1-2H3,(H,17,18,20).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 18168603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).