azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone

C11H16N2OS — CID 110696169

IUPACazepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)N2CCCCCC2)n1
InChIInChI=1S/C11H16N2OS/c1-9-8-15-10(12-9)11(14)13-6-4-2-3-5-7-13/h8H,2-7H2,1H3
InChIKeyOTAHYXXJZMYABB-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.47
Rot. Bonds1

About azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone

azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone (PubChem CID 110696169) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
PubChem CID110696169
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Nameazepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)N2CCCCCC2)n1
InChIInChI=1S/C11H16N2OS/c1-9-8-15-10(12-9)11(14)13-6-4-2-3-5-7-13/h8H,2-7H2,1H3
InChIKeyOTAHYXXJZMYABB-UHFFFAOYSA-N
XLogP2.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone (CID 110696169) is azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone is Cc1csc(C(=O)N2CCCCCC2)n1.
What is the InChIKey of azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
The InChIKey is OTAHYXXJZMYABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-8-15-10(12-9)11(14)13-6-4-2-3-5-7-13/h8H,2-7H2,1H3.
What are the key properties of azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 110696169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).