5-ethyl-2-piperazin-1-yl-1,3-thiazole

C9H15N3S — CID 54595657

IUPAC5-ethyl-2-piperazin-1-yl-1,3-thiazole
SMILESCCc1cnc(N2CCNCC2)s1
InChIInChI=1S/C9H15N3S/c1-2-8-7-11-9(13-8)12-5-3-10-4-6-12/h7,10H,2-6H2,1H3
InChIKeyCVRSDODZNJLINB-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.12
Rot. Bonds2

About 5-ethyl-2-piperazin-1-yl-1,3-thiazole

5-ethyl-2-piperazin-1-yl-1,3-thiazole (PubChem CID 54595657) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-ethyl-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-piperazin-1-yl-1,3-thiazole
PubChem CID54595657
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-ethyl-2-piperazin-1-yl-1,3-thiazole
SMILESCCc1cnc(N2CCNCC2)s1
InChIInChI=1S/C9H15N3S/c1-2-8-7-11-9(13-8)12-5-3-10-4-6-12/h7,10H,2-6H2,1H3
InChIKeyCVRSDODZNJLINB-UHFFFAOYSA-N
XLogP1.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 5-ethyl-2-piperazin-1-yl-1,3-thiazole (CID 54595657) is 5-ethyl-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-piperazin-1-yl-1,3-thiazole is CCc1cnc(N2CCNCC2)s1.
What is the InChIKey of 5-ethyl-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is CVRSDODZNJLINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-8-7-11-9(13-8)12-5-3-10-4-6-12/h7,10H,2-6H2,1H3.
What are the key properties of 5-ethyl-2-piperazin-1-yl-1,3-thiazole?
5-ethyl-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 197.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 54595657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).