azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone

C20H25N3O2S2 — CID 8548115

IUPACazepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H25N3O2S2/c24-19(22-8-3-1-2-4-9-22)15-5-10-23(11-6-15)20(25)17-14-27-18(21-17)16-7-12-26-13-16/h7,12-15H,1-6,8-11H2
InChIKeyNGVMGQCYSDLBKS-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.13
Rot. Bonds3

About azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone

azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 8548115) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
PubChem CID8548115
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC Nameazepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H25N3O2S2/c24-19(22-8-3-1-2-4-9-22)15-5-10-23(11-6-15)20(25)17-14-27-18(21-17)16-7-12-26-13-16/h7,12-15H,1-6,8-11H2
InChIKeyNGVMGQCYSDLBKS-UHFFFAOYSA-N
XLogP4.13
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone (CID 8548115) is azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone is O=C(c1csc(-c2ccsc2)n1)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is NGVMGQCYSDLBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c24-19(22-8-3-1-2-4-9-22)15-5-10-23(11-6-15)20(25)17-14-27-18(21-17)16-7-12-26-13-16/h7,12-15H,1-6,8-11H2.
What are the key properties of azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 403.57 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 8548115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).