(2-methylpiperazin-1-yl)thiourea

C6H14N4S — CID 87467770

IUPAC(2-methylpiperazin-1-yl)thiourea
SMILESCC1CNCCN1NC(N)=S
InChIInChI=1S/C6H14N4S/c1-5-4-8-2-3-10(5)9-6(7)11/h5,8H,2-4H2,1H3,(H3,7,9,11)
InChIKeyMEJBMLWSCNYUEQ-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.97
Rot. Bonds1

About (2-methylpiperazin-1-yl)thiourea

(2-methylpiperazin-1-yl)thiourea (PubChem CID 87467770) has the molecular formula C6H14N4S and a molecular weight of 174.27 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)thiourea.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)thiourea
PubChem CID87467770
Molecular FormulaC6H14N4S
Molecular Weight174.27 g/mol
Exact Mass174.09
IUPAC Name(2-methylpiperazin-1-yl)thiourea
SMILESCC1CNCCN1NC(N)=S
InChIInChI=1S/C6H14N4S/c1-5-4-8-2-3-10(5)9-6(7)11/h5,8H,2-4H2,1H3,(H3,7,9,11)
InChIKeyMEJBMLWSCNYUEQ-UHFFFAOYSA-N
XLogP-0.97
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)thiourea?
The IUPAC name of (2-methylpiperazin-1-yl)thiourea (CID 87467770) is (2-methylpiperazin-1-yl)thiourea.
What is the SMILES notation for (2-methylpiperazin-1-yl)thiourea?
The canonical SMILES for (2-methylpiperazin-1-yl)thiourea is CC1CNCCN1NC(N)=S.
What is the InChIKey of (2-methylpiperazin-1-yl)thiourea?
The InChIKey is MEJBMLWSCNYUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S/c1-5-4-8-2-3-10(5)9-6(7)11/h5,8H,2-4H2,1H3,(H3,7,9,11).
What are the key properties of (2-methylpiperazin-1-yl)thiourea?
(2-methylpiperazin-1-yl)thiourea has a molecular weight of 174.27 g/mol, XLogP of -0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)thiourea is sourced from PubChem (CID 87467770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).