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

C10H20N4S — CID 83017318

IUPAC4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NN2CCN(C)CC2)=N1
InChIInChI=1S/C10H20N4S/c1-3-9-8-15-10(11-9)12-14-6-4-13(2)5-7-14/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyIVQPRNHMKWDRRY-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.62
Rot. Bonds2

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

4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83017318) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83017318
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NN2CCN(C)CC2)=N1
InChIInChI=1S/C10H20N4S/c1-3-9-8-15-10(11-9)12-14-6-4-13(2)5-7-14/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyIVQPRNHMKWDRRY-UHFFFAOYSA-N
XLogP0.62
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 83017318) is 4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NN2CCN(C)CC2)=N1.
What is the InChIKey of 4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IVQPRNHMKWDRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-3-9-8-15-10(11-9)12-14-6-4-13(2)5-7-14/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.36 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83017318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).