4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine

C14H14N4S — CID 11680606

IUPAC4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc2c(c1)sc1c(N3CCNCC3)ncnc12
InChIInChI=1S/C14H14N4S/c1-2-4-11-10(3-1)12-13(19-11)14(17-9-16-12)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2
InChIKeyJOFBZGHZPWRQTF-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.25
Rot. Bonds1

About 4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine

4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 11680606) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID11680606
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc2c(c1)sc1c(N3CCNCC3)ncnc12
InChIInChI=1S/C14H14N4S/c1-2-4-11-10(3-1)12-13(19-11)14(17-9-16-12)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2
InChIKeyJOFBZGHZPWRQTF-UHFFFAOYSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine (CID 11680606) is 4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine is c1ccc2c(c1)sc1c(N3CCNCC3)ncnc12.
What is the InChIKey of 4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is JOFBZGHZPWRQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-4-11-10(3-1)12-13(19-11)14(17-9-16-12)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2.
What are the key properties of 4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine?
4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 270.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 11680606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).