4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine

C8H14N4S — CID 82398118

IUPAC4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine
SMILESCN1CCN(N)C(c2nccs2)C1
InChIInChI=1S/C8H14N4S/c1-11-3-4-12(9)7(6-11)8-10-2-5-13-8/h2,5,7H,3-4,6,9H2,1H3
InChIKeyRXIDBKOQSNUQGW-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.31
Rot. Bonds1

About 4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine

4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine (PubChem CID 82398118) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine
PubChem CID82398118
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine
SMILESCN1CCN(N)C(c2nccs2)C1
InChIInChI=1S/C8H14N4S/c1-11-3-4-12(9)7(6-11)8-10-2-5-13-8/h2,5,7H,3-4,6,9H2,1H3
InChIKeyRXIDBKOQSNUQGW-UHFFFAOYSA-N
XLogP0.31
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine?
The IUPAC name of 4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine (CID 82398118) is 4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine.
What is the SMILES notation for 4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine?
The canonical SMILES for 4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine is CN1CCN(N)C(c2nccs2)C1.
What is the InChIKey of 4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine?
The InChIKey is RXIDBKOQSNUQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-11-3-4-12(9)7(6-11)8-10-2-5-13-8/h2,5,7H,3-4,6,9H2,1H3.
What are the key properties of 4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine?
4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine has a molecular weight of 198.29 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine is sourced from PubChem (CID 82398118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).