4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine

C14H23N3S — CID 65483873

IUPAC4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN2CCCC3CCCCC32)cs1
InChIInChI=1S/C14H23N3S/c15-14-16-12(10-18-14)7-9-17-8-3-5-11-4-1-2-6-13(11)17/h10-11,13H,1-9H2,(H2,15,16)
InChIKeyYDPKGEGODJEXCW-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.92
Rot. Bonds3

About 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine

4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 65483873) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID65483873
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN2CCCC3CCCCC32)cs1
InChIInChI=1S/C14H23N3S/c15-14-16-12(10-18-14)7-9-17-8-3-5-11-4-1-2-6-13(11)17/h10-11,13H,1-9H2,(H2,15,16)
InChIKeyYDPKGEGODJEXCW-UHFFFAOYSA-N
XLogP2.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 65484662
4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine
CID 13363924
[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 126981102
4-(2-thiomorpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 65484449
2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]aniline
CID 62495237
4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 130735866
4-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine
CID 82508561
4-[2-(4-propylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65484061
4-(2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 127017249
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 51226338
4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 65484861
3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]aniline
CID 65349982

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine (CID 65483873) is 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine is Nc1nc(CCN2CCCC3CCCCC32)cs1.
What is the InChIKey of 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is YDPKGEGODJEXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c15-14-16-12(10-18-14)7-9-17-8-3-5-11-4-1-2-6-13(11)17/h10-11,13H,1-9H2,(H2,15,16).
What are the key properties of 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine?
4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 265.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65483873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).