furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone

C16H16N4O2S — CID 31660307

IUPACfuran-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(Nc2ncnc3ccsc23)CC1
InChIInChI=1S/C16H16N4O2S/c21-16(11-3-7-22-9-11)20-5-1-12(2-6-20)19-15-14-13(4-8-23-14)17-10-18-15/h3-4,7-10,12H,1-2,5-6H2,(H,17,18,19)
InChIKeyTZHBWNBKUBOLBS-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.00
Rot. Bonds3

About furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone

furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone (PubChem CID 31660307) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
PubChem CID31660307
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Namefuran-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(Nc2ncnc3ccsc23)CC1
InChIInChI=1S/C16H16N4O2S/c21-16(11-3-7-22-9-11)20-5-1-12(2-6-20)19-15-14-13(4-8-23-14)17-10-18-15/h3-4,7-10,12H,1-2,5-6H2,(H,17,18,19)
InChIKeyTZHBWNBKUBOLBS-UHFFFAOYSA-N
XLogP3.00
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone 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

N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 24623746
furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 87053011
furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone
CID 97229852
[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 95111503
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 113244147
[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 133489193
[4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 167769071
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 115880973
(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655
furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 99832210
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone (CID 31660307) is furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCC(Nc2ncnc3ccsc23)CC1.
What is the InChIKey of furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The InChIKey is TZHBWNBKUBOLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-16(11-3-7-22-9-11)20-5-1-12(2-6-20)19-15-14-13(4-8-23-14)17-10-18-15/h3-4,7-10,12H,1-2,5-6H2,(H,17,18,19).
What are the key properties of furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone?
furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone has a molecular weight of 328.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 31660307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).