N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C16H27N3S — CID 65322638

IUPACN-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(N2CCCC3CCCC32)s1
InChIInChI=1S/C16H27N3S/c1-12(2)9-17-10-14-11-18-16(20-14)19-8-4-6-13-5-3-7-15(13)19/h11-13,15,17H,3-10H2,1-2H3
InChIKeyGDWDXVVNSHJLKT-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.66
Rot. Bonds5

About N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65322638) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65322638
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(N2CCCC3CCCC32)s1
InChIInChI=1S/C16H27N3S/c1-12(2)9-17-10-14-11-18-16(20-14)19-8-4-6-13-5-3-7-15(13)19/h11-13,15,17H,3-10H2,1-2H3
InChIKeyGDWDXVVNSHJLKT-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-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-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62755147
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103503613
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380430
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82751675
N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62754074
N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 63168205
N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79412381
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103540249
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82424642
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62749865
2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102746189
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380713

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 65322638) is N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(N2CCCC3CCCC32)s1.
What is the InChIKey of N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GDWDXVVNSHJLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12(2)9-17-10-14-11-18-16(20-14)19-8-4-6-13-5-3-7-15(13)19/h11-13,15,17H,3-10H2,1-2H3.
What are the key properties of N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65322638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).