[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine

C15H25N3S — CID 65322070

IUPAC[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCCC3CCCC32)sc1CN
InChIInChI=1S/C15H25N3S/c1-2-5-12-14(10-16)19-15(17-12)18-9-4-7-11-6-3-8-13(11)18/h11,13H,2-10,16H2,1H3
InChIKeyARJKQDLCGKIZQK-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.32
Rot. Bonds4

About [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 65322070) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID65322070
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCCC3CCCC32)sc1CN
InChIInChI=1S/C15H25N3S/c1-2-5-12-14(10-16)19-15(17-12)18-9-4-7-11-6-3-8-13(11)18/h11,13H,2-10,16H2,1H3
InChIKeyARJKQDLCGKIZQK-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine 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

[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 102728727
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65322355
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 102728705
[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62765484
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79382698
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 115562457
[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62767664
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62764948
[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766388
[2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 63002607
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 104961227
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 65322070) is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(N2CCCC3CCCC32)sc1CN.
What is the InChIKey of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is ARJKQDLCGKIZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-2-5-12-14(10-16)19-15(17-12)18-9-4-7-11-6-3-8-13(11)18/h11,13H,2-10,16H2,1H3.
What are the key properties of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 279.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 65322070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).