N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

C22H22N4O3S2 — CID 33363620

IUPACN-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(CSc2nnc(-c3ccoc3C)o2)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H22N4O3S2/c1-12-8-13(2)19(14(3)9-12)26(16(5)27)21-23-17(10-30-21)11-31-22-25-24-20(29-22)18-6-7-28-15(18)4/h6-10H,11H2,1-5H3
InChIKeyXCQUVNLPCWVOFE-UHFFFAOYSA-N
MW454.58 g/mol
LogP6.00
Rot. Bonds6

About N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 33363620) has the molecular formula C22H22N4O3S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID33363620
Molecular FormulaC22H22N4O3S2
Molecular Weight454.58 g/mol
Exact Mass454.11
IUPAC NameN-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(CSc2nnc(-c3ccoc3C)o2)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H22N4O3S2/c1-12-8-13(2)19(14(3)9-12)26(16(5)27)21-23-17(10-30-21)11-31-22-25-24-20(29-22)18-6-7-28-15(18)4/h6-10H,11H2,1-5H3
InChIKeyXCQUVNLPCWVOFE-UHFFFAOYSA-N
XLogP6.00
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 33363620) is N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is CC(=O)N(c1nc(CSc2nnc(-c3ccoc3C)o2)cs1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is XCQUVNLPCWVOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S2/c1-12-8-13(2)19(14(3)9-12)26(16(5)27)21-23-17(10-30-21)11-31-22-25-24-20(29-22)18-6-7-28-15(18)4/h6-10H,11H2,1-5H3.
What are the key properties of N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 454.58 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 33363620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).