2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C11H15N3S2 — CID 106481560

IUPAC2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(N2CCCCC2)[nH]c2c1CSC2
InChIInChI=1S/C11H15N3S2/c15-10-8-6-16-7-9(8)12-11(13-10)14-4-2-1-3-5-14/h1-7H2,(H,12,13,15)
InChIKeyKIICAYTWJFMVHX-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.88
Rot. Bonds1

About 2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481560) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481560
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(N2CCCCC2)[nH]c2c1CSC2
InChIInChI=1S/C11H15N3S2/c15-10-8-6-16-7-9(8)12-11(13-10)14-4-2-1-3-5-14/h1-7H2,(H,12,13,15)
InChIKeyKIICAYTWJFMVHX-UHFFFAOYSA-N
XLogP2.88
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481533
2-pyrrolidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481534
2-(azepan-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481558
2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481685

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481560) is 2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is S=c1nc(N2CCCCC2)[nH]c2c1CSC2.
What is the InChIKey of 2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is KIICAYTWJFMVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c15-10-8-6-16-7-9(8)12-11(13-10)14-4-2-1-3-5-14/h1-7H2,(H,12,13,15).
What are the key properties of 2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 253.40 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).