4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine

C9H18N4S — CID 83019411

IUPAC4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(NN2CCN(C)CC2)=N1
InChIInChI=1S/C9H18N4S/c1-8-7-14-9(10-8)11-13-5-3-12(2)4-6-13/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyZSIKZVHRJVFYRO-UHFFFAOYSA-N
MW214.34 g/mol
LogP0.23
Rot. Bonds1

About 4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83019411) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83019411
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(NN2CCN(C)CC2)=N1
InChIInChI=1S/C9H18N4S/c1-8-7-14-9(10-8)11-13-5-3-12(2)4-6-13/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyZSIKZVHRJVFYRO-UHFFFAOYSA-N
XLogP0.23
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 83019411) is 4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(NN2CCN(C)CC2)=N1.
What is the InChIKey of 4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZSIKZVHRJVFYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-8-7-14-9(10-8)11-13-5-3-12(2)4-6-13/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 214.34 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83019411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).