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

C14H24Cl2N2S — CID 67935585

IUPAC(4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride
SMILESCCCN1CCC[C@@H]2Cc3nc(C)sc3C[C@H]21.Cl.Cl
InChIInChI=1S/C14H22N2S.2ClH/c1-3-6-16-7-4-5-11-8-12-14(9-13(11)16)17-10(2)15-12;;/h11,13H,3-9H2,1-2H3;2*1H/t11-,13-;;/m1../s1
InChIKeyNMHQVUOPQGTQCE-IZUPTLQPSA-N
MW323.33 g/mol
LogP3.88
Rot. Bonds2

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

(4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride (PubChem CID 67935585) has the molecular formula C14H24Cl2N2S and a molecular weight of 323.33 g/mol. Its IUPAC name is (4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride.

Molecular Properties

Compound Name(4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride
PubChem CID67935585
Molecular FormulaC14H24Cl2N2S
Molecular Weight323.33 g/mol
Exact Mass322.10
IUPAC Name(4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride
SMILESCCCN1CCC[C@@H]2Cc3nc(C)sc3C[C@H]21.Cl.Cl
InChIInChI=1S/C14H22N2S.2ClH/c1-3-6-16-7-4-5-11-8-12-14(9-13(11)16)17-10(2)15-12;;/h11,13H,3-9H2,1-2H3;2*1H/t11-,13-;;/m1../s1
InChIKeyNMHQVUOPQGTQCE-IZUPTLQPSA-N
XLogP3.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride?
The IUPAC name of (4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride (CID 67935585) is (4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride.
What is the SMILES notation for (4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride?
The canonical SMILES for (4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride is CCCN1CCC[C@@H]2Cc3nc(C)sc3C[C@H]21.Cl.Cl.
What is the InChIKey of (4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride?
The InChIKey is NMHQVUOPQGTQCE-IZUPTLQPSA-N. The full InChI is InChI=1S/C14H22N2S.2ClH/c1-3-6-16-7-4-5-11-8-12-14(9-13(11)16)17-10(2)15-12;;/h11,13H,3-9H2,1-2H3;2*1H/t11-,13-;;/m1../s1.
What are the key properties of (4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride?
(4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride has a molecular weight of 323.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride is sourced from PubChem (CID 67935585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).