N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C16H27N3S — CID 115998367

IUPACN-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CC3CCC(C2)N3C)s1
InChIInChI=1S/C16H27N3S/c1-4-7-17-11(2)15-10-18-16(20-15)12-8-13-5-6-14(9-12)19(13)3/h10-14,17H,4-9H2,1-3H3
InChIKeyLZMTYMYRQNSALO-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.54
Rot. Bonds5

About N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 115998367) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID115998367
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CC3CCC(C2)N3C)s1
InChIInChI=1S/C16H27N3S/c1-4-7-17-11(2)15-10-18-16(20-15)12-8-13-5-6-14(9-12)19(13)3/h10-14,17H,4-9H2,1-3H3
InChIKeyLZMTYMYRQNSALO-UHFFFAOYSA-N
XLogP3.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-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

Related Compounds

N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65391520
1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 112681621
N-[1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79164736
N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 82838748
N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65328204
1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 65391518
N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 83221091
N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089955
N-[1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62751961
N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79980515
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
N-[1-[2-(2-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79978094

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 115998367) is N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(C2CC3CCC(C2)N3C)s1.
What is the InChIKey of N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is LZMTYMYRQNSALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-4-7-17-11(2)15-10-18-16(20-15)12-8-13-5-6-14(9-12)19(13)3/h10-14,17H,4-9H2,1-3H3.
What are the key properties of N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 115998367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).