ethylaminothiourea;2-methylpiperazine

C8H21N5S — CID 23318741

IUPACethylaminothiourea;2-methylpiperazine
SMILESCC1CNCCN1.CCNNC(N)=S
InChIInChI=1S/C5H12N2.C3H9N3S/c1-5-4-6-2-3-7-5;1-2-5-6-3(4)7/h5-7H,2-4H2,1H3;5H,2H2,1H3,(H3,4,6,7)
InChIKeyGVDFACMUVCPMEI-UHFFFAOYSA-N
MW219.36 g/mol
LogP-1.09
Rot. Bonds2

About ethylaminothiourea;2-methylpiperazine

ethylaminothiourea;2-methylpiperazine (PubChem CID 23318741) has the molecular formula C8H21N5S and a molecular weight of 219.36 g/mol. Its IUPAC name is ethylaminothiourea;2-methylpiperazine.

Molecular Properties

Compound Nameethylaminothiourea;2-methylpiperazine
PubChem CID23318741
Molecular FormulaC8H21N5S
Molecular Weight219.36 g/mol
Exact Mass219.15
IUPAC Nameethylaminothiourea;2-methylpiperazine
SMILESCC1CNCCN1.CCNNC(N)=S
InChIInChI=1S/C5H12N2.C3H9N3S/c1-5-4-6-2-3-7-5;1-2-5-6-3(4)7/h5-7H,2-4H2,1H3;5H,2H2,1H3,(H3,4,6,7)
InChIKeyGVDFACMUVCPMEI-UHFFFAOYSA-N
XLogP-1.09
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethylaminothiourea;2-methylpiperazine?
The IUPAC name of ethylaminothiourea;2-methylpiperazine (CID 23318741) is ethylaminothiourea;2-methylpiperazine.
What is the SMILES notation for ethylaminothiourea;2-methylpiperazine?
The canonical SMILES for ethylaminothiourea;2-methylpiperazine is CC1CNCCN1.CCNNC(N)=S.
What is the InChIKey of ethylaminothiourea;2-methylpiperazine?
The InChIKey is GVDFACMUVCPMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C3H9N3S/c1-5-4-6-2-3-7-5;1-2-5-6-3(4)7/h5-7H,2-4H2,1H3;5H,2H2,1H3,(H3,4,6,7).
What are the key properties of ethylaminothiourea;2-methylpiperazine?
ethylaminothiourea;2-methylpiperazine has a molecular weight of 219.36 g/mol, XLogP of -1.09, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminothiourea;2-methylpiperazine is sourced from PubChem (CID 23318741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).