N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C24H31N3OS — CID 45199089

IUPACN-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)C1CC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C24H31N3OS/c28-22(26-18-24(8-4-5-9-24)19-6-2-1-3-7-19)20-16-23(20)10-13-27(14-11-23)17-21-25-12-15-29-21/h1-3,6-7,12,15,20H,4-5,8-11,13-14,16-18H2,(H,26,28)
InChIKeyOBNYUDHLVINVTM-UHFFFAOYSA-N
MW409.60 g/mol
LogP4.37
Rot. Bonds6

About N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45199089) has the molecular formula C24H31N3OS and a molecular weight of 409.60 g/mol. Its IUPAC name is N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45199089
Molecular FormulaC24H31N3OS
Molecular Weight409.60 g/mol
Exact Mass409.22
IUPAC NameN-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)C1CC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C24H31N3OS/c28-22(26-18-24(8-4-5-9-24)19-6-2-1-3-7-19)20-16-23(20)10-13-27(14-11-23)17-21-25-12-15-29-21/h1-3,6-7,12,15,20H,4-5,8-11,13-14,16-18H2,(H,26,28)
InChIKeyOBNYUDHLVINVTM-UHFFFAOYSA-N
XLogP4.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45199089) is N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCC1(c2ccccc2)CCCC1)C1CC12CCN(Cc1nccs1)CC2.
What is the InChIKey of N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is OBNYUDHLVINVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3OS/c28-22(26-18-24(8-4-5-9-24)19-6-2-1-3-7-19)20-16-23(20)10-13-27(14-11-23)17-21-25-12-15-29-21/h1-3,6-7,12,15,20H,4-5,8-11,13-14,16-18H2,(H,26,28).
What are the key properties of N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 409.60 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45199089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).