benzene;piperazine;thiophene

C14H20N2S — CID 174504354

IUPACbenzene;piperazine;thiophene
SMILESC1CNCCN1.c1ccccc1.c1ccsc1
InChIInChI=1S/C6H6.C4H10N2.C4H4S/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1/h1-6H;5-6H,1-4H2;1-4H
InChIKeyGBTMLWIIJBDVCV-UHFFFAOYSA-N
MW248.40 g/mol
LogP2.61
Rot. Bonds

About benzene;piperazine;thiophene

benzene;piperazine;thiophene (PubChem CID 174504354) has the molecular formula C14H20N2S and a molecular weight of 248.40 g/mol. Its IUPAC name is benzene;piperazine;thiophene.

Molecular Properties

Compound Namebenzene;piperazine;thiophene
PubChem CID174504354
Molecular FormulaC14H20N2S
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Namebenzene;piperazine;thiophene
SMILESC1CNCCN1.c1ccccc1.c1ccsc1
InChIInChI=1S/C6H6.C4H10N2.C4H4S/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1/h1-6H;5-6H,1-4H2;1-4H
InChIKeyGBTMLWIIJBDVCV-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;piperazine;thiophene?
The IUPAC name of benzene;piperazine;thiophene (CID 174504354) is benzene;piperazine;thiophene.
What is the SMILES notation for benzene;piperazine;thiophene?
The canonical SMILES for benzene;piperazine;thiophene is C1CNCCN1.c1ccccc1.c1ccsc1.
What is the InChIKey of benzene;piperazine;thiophene?
The InChIKey is GBTMLWIIJBDVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H10N2.C4H4S/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1/h1-6H;5-6H,1-4H2;1-4H.
What are the key properties of benzene;piperazine;thiophene?
benzene;piperazine;thiophene has a molecular weight of 248.40 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;piperazine;thiophene is sourced from PubChem (CID 174504354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).