(S)-N6-[2-(trans-4-Aminocyclohexyl)ethyl]-N6-propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine - CAS 1393886-88-8
Catalog: |
BB008934 |
Product Name: |
(S)-N6-[2-(trans-4-Aminocyclohexyl)ethyl]-N6-propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine |
CAS: |
1393886-88-8 |
Synonyms: |
(6S)-N6-[2-(4-aminocyclohexyl)ethyl]-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; (6S)-6-N-[2-(4-aminocyclohexyl)ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine |
IUPAC Name: | (6S)-6-N-[2-(4-aminocyclohexyl)ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine |
Description: | (S)-N6-[2-(trans-4-Aminocyclohexyl)ethyl]-N6-propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine (CAS# 1393886-88-8 ) is a useful research chemical. |
Molecular Weight: | 336.54 |
Molecular Formula: | C18H32N4S |
Canonical SMILES: | CCCN(CCC1CCC(CC1)N)C2CCC3=C(C2)SC(=N3)N |
InChI: | InChI=1S/C18H32N4S/c1-2-10-22(11-9-13-3-5-14(19)6-4-13)15-7-8-16-17(12-15)23-18(20)21-16/h13-15H,2-12,19H2,1H3,(H2,20,21)/t13?,14?,15-/m0/s1 |
InChI Key: | CJSNSEJQHILRQM-NRXISQOPSA-N |
LogP: | 3.83260 |
Publication Number | Title | Priority Date |
US-2012232118-A1 | Selective ligands for the dopamine 3 (d3) receptor and methods of using the same | 20110309 |
US-8486981-B2 | Selective ligands for the dopamine 3 (D3) receptor and methods of using the same | 20110309 |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 336.23476821 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 336.23476821 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 96.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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