N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C17H30N2S — CID 80610580

IUPACN-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(C2CCCCCCC2)nc1C
InChIInChI=1S/C17H30N2S/c1-4-12-18-13(2)16-14(3)19-17(20-16)15-10-8-6-5-7-9-11-15/h13,15,18H,4-12H2,1-3H3
InChIKeyQQKNQMGWWJHRLU-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.34
Rot. Bonds5

About N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 80610580) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID80610580
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(C2CCCCCCC2)nc1C
InChIInChI=1S/C17H30N2S/c1-4-12-18-13(2)16-14(3)19-17(20-16)15-10-8-6-5-7-9-11-15/h13,15,18H,4-12H2,1-3H3
InChIKeyQQKNQMGWWJHRLU-UHFFFAOYSA-N
XLogP5.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine 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-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 80610580) is N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(C)c1sc(C2CCCCCCC2)nc1C.
What is the InChIKey of N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is QQKNQMGWWJHRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-12-18-13(2)16-14(3)19-17(20-16)15-10-8-6-5-7-9-11-15/h13,15,18H,4-12H2,1-3H3.
What are the key properties of N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80610580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).