1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone

C15H25N3OS — CID 86789739

IUPAC1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone
SMILESCc1cnc(C(C)(C)NCC(=O)N2CCCCCC2)s1
InChIInChI=1S/C15H25N3OS/c1-12-10-16-14(20-12)15(2,3)17-11-13(19)18-8-6-4-5-7-9-18/h10,17H,4-9,11H2,1-3H3
InChIKeyXQPYUDIUJYBDNF-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.68
Rot. Bonds4

About 1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone

1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone (PubChem CID 86789739) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone
PubChem CID86789739
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone
SMILESCc1cnc(C(C)(C)NCC(=O)N2CCCCCC2)s1
InChIInChI=1S/C15H25N3OS/c1-12-10-16-14(20-12)15(2,3)17-11-13(19)18-8-6-4-5-7-9-18/h10,17H,4-9,11H2,1-3H3
InChIKeyXQPYUDIUJYBDNF-UHFFFAOYSA-N
XLogP2.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone (CID 86789739) is 1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone is Cc1cnc(C(C)(C)NCC(=O)N2CCCCCC2)s1.
What is the InChIKey of 1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
The InChIKey is XQPYUDIUJYBDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-12-10-16-14(20-12)15(2,3)17-11-13(19)18-8-6-4-5-7-9-18/h10,17H,4-9,11H2,1-3H3.
What are the key properties of 1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone has a molecular weight of 295.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone is sourced from PubChem (CID 86789739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).