2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine

C11H13N5S — CID 67388017

IUPAC2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine
SMILESc1nc(-c2ccsc2)nc(N2CCNCC2)n1
InChIInChI=1S/C11H13N5S/c1-6-17-7-9(1)10-13-8-14-11(15-10)16-4-2-12-3-5-16/h1,6-8,12H,2-5H2
InChIKeyQYESIGWJKFGXNV-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.01
Rot. Bonds2

About 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine

2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine (PubChem CID 67388017) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine
PubChem CID67388017
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine
SMILESc1nc(-c2ccsc2)nc(N2CCNCC2)n1
InChIInChI=1S/C11H13N5S/c1-6-17-7-9(1)10-13-8-14-11(15-10)16-4-2-12-3-5-16/h1,6-8,12H,2-5H2
InChIKeyQYESIGWJKFGXNV-UHFFFAOYSA-N
XLogP1.01
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine 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

2-piperazin-1-yl-6-thiophen-3-ylpyrazine
CID 18186921
2-chloro-4-piperazin-1-yl-1,3,5-triazine
CID 54357139
1-[4-(1-phenylpyrazol-4-yl)-1,3,5-triazin-2-yl]-1,4-diazepane
CID 167843757
1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one
CID 167816142
2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine
CID 167940796
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine
CID 58446967
8-piperazin-1-yl-5-thiophen-3-ylimidazo[1,2-a]pyrazine
CID 58446975
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 24734609
2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 121215340
2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine
CID 162705855

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine?
The IUPAC name of 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine (CID 67388017) is 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine?
The canonical SMILES for 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine is c1nc(-c2ccsc2)nc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine?
The InChIKey is QYESIGWJKFGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-6-17-7-9(1)10-13-8-14-11(15-10)16-4-2-12-3-5-16/h1,6-8,12H,2-5H2.
What are the key properties of 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine?
2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine has a molecular weight of 247.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine is sourced from PubChem (CID 67388017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).