N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C12H15N3O2S2 — CID 860213

IUPACN-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C12H15N3O2S2/c1-12(2,3)13-9(16)7-19-11-15-14-10(17-11)8-5-4-6-18-8/h4-6H,7H2,1-3H3,(H,13,16)
InChIKeyVDMHSOYXFVSSQI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.80
Rot. Bonds4

About N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 860213) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID860213
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC NameN-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C12H15N3O2S2/c1-12(2,3)13-9(16)7-19-11-15-14-10(17-11)8-5-4-6-18-8/h4-6H,7H2,1-3H3,(H,13,16)
InChIKeyVDMHSOYXFVSSQI-UHFFFAOYSA-N
XLogP2.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 860213) is N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CC(C)(C)NC(=O)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is VDMHSOYXFVSSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-12(2,3)13-9(16)7-19-11-15-14-10(17-11)8-5-4-6-18-8/h4-6H,7H2,1-3H3,(H,13,16).
What are the key properties of N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 860213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).