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

C11H13N3O2S2 — CID 5329663

IUPACN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1cnc(CSc2cnc(NC(C)=O)s2)o1
InChIInChI=1S/C11H13N3O2S2/c1-3-8-4-12-9(16-8)6-17-10-5-13-11(18-10)14-7(2)15/h4-5H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyNRCIGJZLDFFIDD-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.94
Rot. Bonds5

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

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 5329663) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID5329663
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1cnc(CSc2cnc(NC(C)=O)s2)o1
InChIInChI=1S/C11H13N3O2S2/c1-3-8-4-12-9(16-8)6-17-10-5-13-11(18-10)14-7(2)15/h4-5H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyNRCIGJZLDFFIDD-UHFFFAOYSA-N
XLogP2.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 5329663) is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CCc1cnc(CSc2cnc(NC(C)=O)s2)o1.
What is the InChIKey of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NRCIGJZLDFFIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-3-8-4-12-9(16-8)6-17-10-5-13-11(18-10)14-7(2)15/h4-5H,3,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).