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

C15H13N3O2S2 — CID 5329686

IUPACN-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2ncc(-c3ccccc3)o2)s1
InChIInChI=1S/C15H13N3O2S2/c1-10(19)18-15-17-8-14(22-15)21-9-13-16-7-12(20-13)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyQCLGQMKUDBLDML-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.05
Rot. Bonds5

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

N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 5329686) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID5329686
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2ncc(-c3ccccc3)o2)s1
InChIInChI=1S/C15H13N3O2S2/c1-10(19)18-15-17-8-14(22-15)21-9-13-16-7-12(20-13)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyQCLGQMKUDBLDML-UHFFFAOYSA-N
XLogP4.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 5329686) is N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(SCc2ncc(-c3ccccc3)o2)s1.
What is the InChIKey of N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QCLGQMKUDBLDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-10(19)18-15-17-8-14(22-15)21-9-13-16-7-12(20-13)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18,19).
What are the key properties of N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).