5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine

C15H25N3S — CID 79772211

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CCC3CCCCC3C2)s1
InChIInChI=1S/C15H25N3S/c1-2-16-15-17-9-14(19-15)11-18-8-7-12-5-3-4-6-13(12)10-18/h9,12-13H,2-8,10-11H2,1H3,(H,16,17)
InChIKeyMCMPMKGCBDDZGA-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.59
Rot. Bonds4

About 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine

5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79772211) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID79772211
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CCC3CCCCC3C2)s1
InChIInChI=1S/C15H25N3S/c1-2-16-15-17-9-14(19-15)11-18-8-7-12-5-3-4-6-13(12)10-18/h9,12-13H,2-8,10-11H2,1H3,(H,16,17)
InChIKeyMCMPMKGCBDDZGA-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine
CID 79774443
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772491
2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399548
5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79772417
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556031
N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine
CID 79934751
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774542
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774545
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylpyridin-2-amine
CID 62471001
5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 102966743
5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79772633
5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79773903

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine (CID 79772211) is 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(CN2CCC3CCCCC3C2)s1.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is MCMPMKGCBDDZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-2-16-15-17-9-14(19-15)11-18-8-7-12-5-3-4-6-13(12)10-18/h9,12-13H,2-8,10-11H2,1H3,(H,16,17).
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine?
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 279.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79772211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).