N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine

C24H33N3O2S — CID 122695582

IUPACN-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine
SMILESCOCCOCCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2nccs2)cc13
InChIInChI=1S/C24H33N3O2S/c1-28-13-14-29-12-11-27-10-8-24-7-3-2-4-20(24)22(27)16-18-5-6-19(17-21(18)24)26-23-25-9-15-30-23/h5-6,9,15,17,20,22H,2-4,7-8,10-14,16H2,1H3,(H,25,26)/t20-,22+,24+/m0/s1
InChIKeyQLECEANEMQBWRJ-BGWNEDDSSA-N
MW427.61 g/mol
LogP4.61
Rot. Bonds8

About N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine

N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine (PubChem CID 122695582) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine
PubChem CID122695582
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine
SMILESCOCCOCCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2nccs2)cc13
InChIInChI=1S/C24H33N3O2S/c1-28-13-14-29-12-11-27-10-8-24-7-3-2-4-20(24)22(27)16-18-5-6-19(17-21(18)24)26-23-25-9-15-30-23/h5-6,9,15,17,20,22H,2-4,7-8,10-14,16H2,1H3,(H,25,26)/t20-,22+,24+/m0/s1
InChIKeyQLECEANEMQBWRJ-BGWNEDDSSA-N
XLogP4.61
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

US10766864, Example 46
CID 122690062
N-[(1R,9R,10R,15R)-17-[2-(2-methoxyethoxy)ethyl]-15-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine
CID 145187001
N-methyl-2-[5-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 164565241
N-[(1S,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine
CID 178292253
N-[(1S,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine
CID 178293664

Frequently Asked Questions

What is the IUPAC name of N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine (CID 122695582) is N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine is COCCOCCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2nccs2)cc13.
What is the InChIKey of N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine?
The InChIKey is QLECEANEMQBWRJ-BGWNEDDSSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-28-13-14-29-12-11-27-10-8-24-7-3-2-4-20(24)22(27)16-18-5-6-19(17-21(18)24)26-23-25-9-15-30-23/h5-6,9,15,17,20,22H,2-4,7-8,10-14,16H2,1H3,(H,25,26)/t20-,22+,24+/m0/s1.
What are the key properties of N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine?
N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine has a molecular weight of 427.61 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,9R,10R)-17-[2-(2-methoxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 122695582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).