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

C9H16N4S — CID 66936261

IUPAC4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine
SMILESCN1CCN(NCc2nccs2)CC1
InChIInChI=1S/C9H16N4S/c1-12-3-5-13(6-4-12)11-8-9-10-2-7-14-9/h2,7,11H,3-6,8H2,1H3
InChIKeyUADFSFHCSLKHSB-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.40
Rot. Bonds3

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

4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine (PubChem CID 66936261) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine
PubChem CID66936261
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine
SMILESCN1CCN(NCc2nccs2)CC1
InChIInChI=1S/C9H16N4S/c1-12-3-5-13(6-4-12)11-8-9-10-2-7-14-9/h2,7,11H,3-6,8H2,1H3
InChIKeyUADFSFHCSLKHSB-UHFFFAOYSA-N
XLogP0.40
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine?
The IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine (CID 66936261) is 4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine?
The canonical SMILES for 4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine is CN1CCN(NCc2nccs2)CC1.
What is the InChIKey of 4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine?
The InChIKey is UADFSFHCSLKHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-12-3-5-13(6-4-12)11-8-9-10-2-7-14-9/h2,7,11H,3-6,8H2,1H3.
What are the key properties of 4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine?
4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine has a molecular weight of 212.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine is sourced from PubChem (CID 66936261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).