N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine

C9H16N4S — CID 43600406

IUPACN-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine
SMILESc1csc(NCCN2CCNCC2)n1
InChIInChI=1S/C9H16N4S/c1-5-13(6-2-10-1)7-3-11-9-12-4-8-14-9/h4,8,10H,1-3,5-7H2,(H,11,12)
InChIKeyXJXVIMJEFJKYFC-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.46
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine

N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine (PubChem CID 43600406) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine
PubChem CID43600406
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine
SMILESc1csc(NCCN2CCNCC2)n1
InChIInChI=1S/C9H16N4S/c1-5-13(6-2-10-1)7-3-11-9-12-4-8-14-9/h4,8,10H,1-3,5-7H2,(H,11,12)
InChIKeyXJXVIMJEFJKYFC-UHFFFAOYSA-N
XLogP0.46
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine (CID 43600406) is N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine is c1csc(NCCN2CCNCC2)n1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is XJXVIMJEFJKYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-5-13(6-2-10-1)7-3-11-9-12-4-8-14-9/h4,8,10H,1-3,5-7H2,(H,11,12).
What are the key properties of N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine?
N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 43600406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).