N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C15H13FN4O2S2 — CID 1168112

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)sc1C
InChIInChI=1S/C15H13FN4O2S2/c1-8-9(2)24-14(17-8)18-12(21)7-23-15-20-19-13(22-15)10-3-5-11(16)6-4-10/h3-6H,7H2,1-2H3,(H,17,18,21)
InChIKeyMMQMOCOKODTDEF-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.68
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1168112) has the molecular formula C15H13FN4O2S2 and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1168112
Molecular FormulaC15H13FN4O2S2
Molecular Weight364.43 g/mol
Exact Mass364.05
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)sc1C
InChIInChI=1S/C15H13FN4O2S2/c1-8-9(2)24-14(17-8)18-12(21)7-23-15-20-19-13(22-15)10-3-5-11(16)6-4-10/h3-6H,7H2,1-2H3,(H,17,18,21)
InChIKeyMMQMOCOKODTDEF-UHFFFAOYSA-N
XLogP3.68
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1168112) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1nc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MMQMOCOKODTDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S2/c1-8-9(2)24-14(17-8)18-12(21)7-23-15-20-19-13(22-15)10-3-5-11(16)6-4-10/h3-6H,7H2,1-2H3,(H,17,18,21).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1168112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).