methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide

C17H18N4O2S — CID 143901518

IUPACmethylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide
SMILESCC1CC1.Cc1nc(-c2sc(NC=O)nc2-c2ccccc2)no1
InChIInChI=1S/C13H10N4O2S.C4H8/c1-8-15-12(17-19-8)11-10(9-5-3-2-4-6-9)16-13(20-11)14-7-18;1-4-2-3-4/h2-7H,1H3,(H,14,16,18);4H,2-3H2,1H3
InChIKeyJXWZXHMAFFUKGH-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.15
Rot. Bonds4

About methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide

methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide (PubChem CID 143901518) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound Namemethylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide
PubChem CID143901518
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Namemethylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide
SMILESCC1CC1.Cc1nc(-c2sc(NC=O)nc2-c2ccccc2)no1
InChIInChI=1S/C13H10N4O2S.C4H8/c1-8-15-12(17-19-8)11-10(9-5-3-2-4-6-9)16-13(20-11)14-7-18;1-4-2-3-4/h2-7H,1H3,(H,14,16,18);4H,2-3H2,1H3
InChIKeyJXWZXHMAFFUKGH-UHFFFAOYSA-N
XLogP4.15
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide?
The IUPAC name of methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide (CID 143901518) is methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide?
The canonical SMILES for methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide is CC1CC1.Cc1nc(-c2sc(NC=O)nc2-c2ccccc2)no1.
What is the InChIKey of methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide?
The InChIKey is JXWZXHMAFFUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S.C4H8/c1-8-15-12(17-19-8)11-10(9-5-3-2-4-6-9)16-13(20-11)14-7-18;1-4-2-3-4/h2-7H,1H3,(H,14,16,18);4H,2-3H2,1H3.
What are the key properties of methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide?
methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide has a molecular weight of 342.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopropane;N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 143901518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).