N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C20H18N4O3S2 — CID 651697

IUPACN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1csc(N(C)C(=O)CSc2nnc(COc3cccc4ccccc34)o2)n1
InChIInChI=1S/C20H18N4O3S2/c1-13-11-28-19(21-13)24(2)18(25)12-29-20-23-22-17(27-20)10-26-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,11H,10,12H2,1-2H3
InChIKeyJRFANCPSAMMMLL-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.32
Rot. Bonds7

About N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 651697) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID651697
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1csc(N(C)C(=O)CSc2nnc(COc3cccc4ccccc34)o2)n1
InChIInChI=1S/C20H18N4O3S2/c1-13-11-28-19(21-13)24(2)18(25)12-29-20-23-22-17(27-20)10-26-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,11H,10,12H2,1-2H3
InChIKeyJRFANCPSAMMMLL-UHFFFAOYSA-N
XLogP4.32
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 651697) is N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1csc(N(C)C(=O)CSc2nnc(COc3cccc4ccccc34)o2)n1.
What is the InChIKey of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is JRFANCPSAMMMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-13-11-28-19(21-13)24(2)18(25)12-29-20-23-22-17(27-20)10-26-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,11H,10,12H2,1-2H3.
What are the key properties of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 651697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).