1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C20H27ClN6OS — CID 120853281

IUPAC1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1sc2ncnc(N3CCC(c4nc(C5(N)CCCC5)no4)CC3)c2c1C.Cl
InChIInChI=1S/C20H26N6OS.ClH/c1-12-13(2)28-18-15(12)16(22-11-23-18)26-9-5-14(6-10-26)17-24-19(25-27-17)20(21)7-3-4-8-20;/h11,14H,3-10,21H2,1-2H3;1H
InChIKeyQJAMINXLWBBQDB-UHFFFAOYSA-N
MW435.00 g/mol
LogP4.22
Rot. Bonds3

About 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120853281) has the molecular formula C20H27ClN6OS and a molecular weight of 435.00 g/mol. Its IUPAC name is 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120853281
Molecular FormulaC20H27ClN6OS
Molecular Weight435.00 g/mol
Exact Mass434.17
IUPAC Name1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1sc2ncnc(N3CCC(c4nc(C5(N)CCCC5)no4)CC3)c2c1C.Cl
InChIInChI=1S/C20H26N6OS.ClH/c1-12-13(2)28-18-15(12)16(22-11-23-18)26-9-5-14(6-10-26)17-24-19(25-27-17)20(21)7-3-4-8-20;/h11,14H,3-10,21H2,1-2H3;1H
InChIKeyQJAMINXLWBBQDB-UHFFFAOYSA-N
XLogP4.22
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.00
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861252
1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866898
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856655
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 41332420
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
(5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95788188
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862248
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976599

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120853281) is 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cc1sc2ncnc(N3CCC(c4nc(C5(N)CCCC5)no4)CC3)c2c1C.Cl.
What is the InChIKey of 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is QJAMINXLWBBQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS.ClH/c1-12-13(2)28-18-15(12)16(22-11-23-18)26-9-5-14(6-10-26)17-24-19(25-27-17)20(21)7-3-4-8-20;/h11,14H,3-10,21H2,1-2H3;1H.
What are the key properties of 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 435.00 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120853281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).