2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile

C11H16N4S — CID 63337322

IUPAC2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile
SMILESCCc1csc(N2CCN(CC#N)CC2)n1
InChIInChI=1S/C11H16N4S/c1-2-10-9-16-11(13-10)15-7-5-14(4-3-12)6-8-15/h9H,2,4-8H2,1H3
InChIKeyYOYAVWJYZYGQAO-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.35
Rot. Bonds3

About 2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile

2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile (PubChem CID 63337322) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile
PubChem CID63337322
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile
SMILESCCc1csc(N2CCN(CC#N)CC2)n1
InChIInChI=1S/C11H16N4S/c1-2-10-9-16-11(13-10)15-7-5-14(4-3-12)6-8-15/h9H,2,4-8H2,1H3
InChIKeyYOYAVWJYZYGQAO-UHFFFAOYSA-N
XLogP1.35
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile (CID 63337322) is 2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile is CCc1csc(N2CCN(CC#N)CC2)n1.
What is the InChIKey of 2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile?
The InChIKey is YOYAVWJYZYGQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-2-10-9-16-11(13-10)15-7-5-14(4-3-12)6-8-15/h9H,2,4-8H2,1H3.
What are the key properties of 2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile?
2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile has a molecular weight of 236.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 63337322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).