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

C19H24N6OS — CID 120861252

IUPAC1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1sc2ncnc(N3CCC(c4nc(C5(N)CCC5)no4)CC3)c2c1C
InChIInChI=1S/C19H24N6OS/c1-11-12(2)27-17-14(11)15(21-10-22-17)25-8-4-13(5-9-25)16-23-18(24-26-16)19(20)6-3-7-19/h10,13H,3-9,20H2,1-2H3
InChIKeyQXKZOMHAVFREIV-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.41
Rot. Bonds3

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

1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120861252) has the molecular formula C19H24N6OS and a molecular weight of 384.51 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]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120861252
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1sc2ncnc(N3CCC(c4nc(C5(N)CCC5)no4)CC3)c2c1C
InChIInChI=1S/C19H24N6OS/c1-11-12(2)27-17-14(11)15(21-10-22-17)25-8-4-13(5-9-25)16-23-18(24-26-16)19(20)6-3-7-19/h10,13H,3-9,20H2,1-2H3
InChIKeyQXKZOMHAVFREIV-UHFFFAOYSA-N
XLogP3.41
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.41
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]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862248
1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856655
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976599
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734

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]cyclobutan-1-amine?
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]cyclobutan-1-amine (CID 120861252) is 1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
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]cyclobutan-1-amine?
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]cyclobutan-1-amine is Cc1sc2ncnc(N3CCC(c4nc(C5(N)CCC5)no4)CC3)c2c1C.
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]cyclobutan-1-amine?
The InChIKey is QXKZOMHAVFREIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-11-12(2)27-17-14(11)15(21-10-22-17)25-8-4-13(5-9-25)16-23-18(24-26-16)19(20)6-3-7-19/h10,13H,3-9,20H2,1-2H3.
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]cyclobutan-1-amine?
1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 384.51 g/mol, XLogP of 3.41, 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]cyclobutan-1-amine is sourced from PubChem (CID 120861252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).