2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H23N5O2S — CID 51098350

IUPAC2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CNC2(c3noc(C)n3)CCCCCC2)n1
InChIInChI=1S/C16H23N5O2S/c1-11-10-24-15(18-11)20-13(22)9-17-16(7-5-3-4-6-8-16)14-19-12(2)23-21-14/h10,17H,3-9H2,1-2H3,(H,18,20,22)
InChIKeyXEFLBVSYLFXYIR-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.92
Rot. Bonds5

About 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 51098350) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID51098350
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CNC2(c3noc(C)n3)CCCCCC2)n1
InChIInChI=1S/C16H23N5O2S/c1-11-10-24-15(18-11)20-13(22)9-17-16(7-5-3-4-6-8-16)14-19-12(2)23-21-14/h10,17H,3-9H2,1-2H3,(H,18,20,22)
InChIKeyXEFLBVSYLFXYIR-UHFFFAOYSA-N
XLogP2.92
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 51098350) is 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CNC2(c3noc(C)n3)CCCCCC2)n1.
What is the InChIKey of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XEFLBVSYLFXYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-10-24-15(18-11)20-13(22)9-17-16(7-5-3-4-6-8-16)14-19-12(2)23-21-14/h10,17H,3-9H2,1-2H3,(H,18,20,22).
What are the key properties of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 51098350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).