(4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride

C14H25Cl2N3S — CID 88521592

IUPAC(4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride
SMILESCCCN1CCC[C@@H]2Cc3nc(NC)sc3C[C@H]21.Cl.Cl
InChIInChI=1S/C14H23N3S.2ClH/c1-3-6-17-7-4-5-10-8-11-13(9-12(10)17)18-14(15-2)16-11;;/h10,12H,3-9H2,1-2H3,(H,15,16);2*1H/t10-,12-;;/m1../s1
InChIKeyYWKQOQADWNWYTO-YNSCCRKDSA-N
MW338.35 g/mol
LogP3.62
Rot. Bonds3

About (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride

(4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride (PubChem CID 88521592) has the molecular formula C14H25Cl2N3S and a molecular weight of 338.35 g/mol. Its IUPAC name is (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride.

Molecular Properties

Compound Name(4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride
PubChem CID88521592
Molecular FormulaC14H25Cl2N3S
Molecular Weight338.35 g/mol
Exact Mass337.11
IUPAC Name(4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride
SMILESCCCN1CCC[C@@H]2Cc3nc(NC)sc3C[C@H]21.Cl.Cl
InChIInChI=1S/C14H23N3S.2ClH/c1-3-6-17-7-4-5-10-8-11-13(9-12(10)17)18-14(15-2)16-11;;/h10,12H,3-9H2,1-2H3,(H,15,16);2*1H/t10-,12-;;/m1../s1
InChIKeyYWKQOQADWNWYTO-YNSCCRKDSA-N
XLogP3.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride?
The IUPAC name of (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride (CID 88521592) is (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride.
What is the SMILES notation for (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride?
The canonical SMILES for (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride is CCCN1CCC[C@@H]2Cc3nc(NC)sc3C[C@H]21.Cl.Cl.
What is the InChIKey of (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride?
The InChIKey is YWKQOQADWNWYTO-YNSCCRKDSA-N. The full InChI is InChI=1S/C14H23N3S.2ClH/c1-3-6-17-7-4-5-10-8-11-13(9-12(10)17)18-14(15-2)16-11;;/h10,12H,3-9H2,1-2H3,(H,15,16);2*1H/t10-,12-;;/m1../s1.
What are the key properties of (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride?
(4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride has a molecular weight of 338.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride is sourced from PubChem (CID 88521592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).