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

C11H13N3O2S2 — CID 5329684

IUPACN-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2nc(C)c(C)o2)s1
InChIInChI=1S/C11H13N3O2S2/c1-6-7(2)16-9(13-6)5-17-10-4-12-11(18-10)14-8(3)15/h4H,5H2,1-3H3,(H,12,14,15)
InChIKeyJYWSISJKMHOMBG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.00
Rot. Bonds4

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

N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 5329684) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID5329684
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2nc(C)c(C)o2)s1
InChIInChI=1S/C11H13N3O2S2/c1-6-7(2)16-9(13-6)5-17-10-4-12-11(18-10)14-8(3)15/h4H,5H2,1-3H3,(H,12,14,15)
InChIKeyJYWSISJKMHOMBG-UHFFFAOYSA-N
XLogP3.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-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 N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 5329684) is N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(SCc2nc(C)c(C)o2)s1.
What is the InChIKey of N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JYWSISJKMHOMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-6-7(2)16-9(13-6)5-17-10-4-12-11(18-10)14-8(3)15/h4H,5H2,1-3H3,(H,12,14,15).
What are the key properties of N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).