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

C14H23N3S — CID 18599020

IUPAC(4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine
SMILESCCCN1CCC[C@H]2Cc3nc(NC)sc3C[C@@H]21
InChIInChI=1S/C14H23N3S/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)/t10-,12-/m0/s1
InChIKeyFZSGOWNOSBRLGF-JQWIXIFHSA-N
MW265.43 g/mol
LogP2.77
Rot. Bonds3

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

(4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine (PubChem CID 18599020) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is (4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine.

Molecular Properties

Compound Name(4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine
PubChem CID18599020
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name(4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine
SMILESCCCN1CCC[C@H]2Cc3nc(NC)sc3C[C@@H]21
InChIInChI=1S/C14H23N3S/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)/t10-,12-/m0/s1
InChIKeyFZSGOWNOSBRLGF-JQWIXIFHSA-N
XLogP2.77
TPSA28.16 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine?
The IUPAC name of (4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine (CID 18599020) is (4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine.
What is the SMILES notation for (4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine?
The canonical SMILES for (4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine is CCCN1CCC[C@H]2Cc3nc(NC)sc3C[C@@H]21.
What is the InChIKey of (4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine?
The InChIKey is FZSGOWNOSBRLGF-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H23N3S/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)/t10-,12-/m0/s1.
What are the key properties of (4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine?
(4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine has a molecular weight of 265.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine is sourced from PubChem (CID 18599020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).