N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C19H26N4OS — CID 126465900

IUPACN-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1ccc(CN2CCC3(CC2)CC3C(=O)NCCn2ccnc2)s1
InChIInChI=1S/C19H26N4OS/c1-15-2-3-16(25-15)13-22-8-4-19(5-9-22)12-17(19)18(24)21-7-11-23-10-6-20-14-23/h2-3,6,10,14,17H,4-5,7-9,11-13H2,1H3,(H,21,24)
InChIKeyUWHJHXXXPLMLTH-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.67
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126465900) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126465900
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1ccc(CN2CCC3(CC2)CC3C(=O)NCCn2ccnc2)s1
InChIInChI=1S/C19H26N4OS/c1-15-2-3-16(25-15)13-22-8-4-19(5-9-22)12-17(19)18(24)21-7-11-23-10-6-20-14-23/h2-3,6,10,14,17H,4-5,7-9,11-13H2,1H3,(H,21,24)
InChIKeyUWHJHXXXPLMLTH-UHFFFAOYSA-N
XLogP2.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 126465900) is N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1ccc(CN2CCC3(CC2)CC3C(=O)NCCn2ccnc2)s1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is UWHJHXXXPLMLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-15-2-3-16(25-15)13-22-8-4-19(5-9-22)12-17(19)18(24)21-7-11-23-10-6-20-14-23/h2-3,6,10,14,17H,4-5,7-9,11-13H2,1H3,(H,21,24).
What are the key properties of N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126465900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).