2-piperazin-1-yl-4,5-dihydro-1,3-thiazole

C7H13N3S — CID 68680839

IUPAC2-piperazin-1-yl-4,5-dihydro-1,3-thiazole
SMILESC1CSC(N2CCNCC2)=N1
InChIInChI=1S/C7H13N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h8H,1-6H2
InChIKeyVACVMVQDNTVDAX-UHFFFAOYSA-N
MW171.27 g/mol
LogP-0.01
Rot. Bonds

About 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole

2-piperazin-1-yl-4,5-dihydro-1,3-thiazole (PubChem CID 68680839) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-4,5-dihydro-1,3-thiazole
PubChem CID68680839
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name2-piperazin-1-yl-4,5-dihydro-1,3-thiazole
SMILESC1CSC(N2CCNCC2)=N1
InChIInChI=1S/C7H13N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h8H,1-6H2
InChIKeyVACVMVQDNTVDAX-UHFFFAOYSA-N
XLogP-0.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole (CID 68680839) is 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole is C1CSC(N2CCNCC2)=N1.
What is the InChIKey of 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is VACVMVQDNTVDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h8H,1-6H2.
What are the key properties of 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole?
2-piperazin-1-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 171.27 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 68680839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).