4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine

C13H11N3S2 — CID 24607532

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
SMILESc1nc(N2CCc3sccc3C2)c2sccc2n1
InChIInChI=1S/C13H11N3S2/c1-4-16(7-9-2-5-17-11(1)9)13-12-10(3-6-18-12)14-8-15-13/h2-3,5-6,8H,1,4,7H2
InChIKeyGRHQJRFPORHWOB-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.32
Rot. Bonds1

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine (PubChem CID 24607532) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
PubChem CID24607532
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
SMILESc1nc(N2CCc3sccc3C2)c2sccc2n1
InChIInChI=1S/C13H11N3S2/c1-4-16(7-9-2-5-17-11(1)9)13-12-10(3-6-18-12)14-8-15-13/h2-3,5-6,8H,1,4,7H2
InChIKeyGRHQJRFPORHWOB-UHFFFAOYSA-N
XLogP3.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine (CID 24607532) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine is c1nc(N2CCc3sccc3C2)c2sccc2n1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine?
The InChIKey is GRHQJRFPORHWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c1-4-16(7-9-2-5-17-11(1)9)13-12-10(3-6-18-12)14-8-15-13/h2-3,5-6,8H,1,4,7H2.
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine has a molecular weight of 273.39 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 24607532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).