1-[ethyl(methylamino)amino]-3-(methylamino)thiourea

C5H15N5S — CID 154429208

IUPAC1-[ethyl(methylamino)amino]-3-(methylamino)thiourea
SMILESCCN(NC)NC(=S)NNC
InChIInChI=1S/C5H15N5S/c1-4-10(7-3)9-5(11)8-6-2/h6-7H,4H2,1-3H3,(H2,8,9,11)
InChIKeyBKOFMMVPFHGNTG-UHFFFAOYSA-N
MW177.28 g/mol
LogP-1.04
Rot. Bonds4

About 1-[ethyl(methylamino)amino]-3-(methylamino)thiourea

1-[ethyl(methylamino)amino]-3-(methylamino)thiourea (PubChem CID 154429208) has the molecular formula C5H15N5S and a molecular weight of 177.28 g/mol. Its IUPAC name is 1-[ethyl(methylamino)amino]-3-(methylamino)thiourea.

Molecular Properties

Compound Name1-[ethyl(methylamino)amino]-3-(methylamino)thiourea
PubChem CID154429208
Molecular FormulaC5H15N5S
Molecular Weight177.28 g/mol
Exact Mass177.10
IUPAC Name1-[ethyl(methylamino)amino]-3-(methylamino)thiourea
SMILESCCN(NC)NC(=S)NNC
InChIInChI=1S/C5H15N5S/c1-4-10(7-3)9-5(11)8-6-2/h6-7H,4H2,1-3H3,(H2,8,9,11)
InChIKeyBKOFMMVPFHGNTG-UHFFFAOYSA-N
XLogP-1.04
TPSA51.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methylamino)amino]-3-(methylamino)thiourea?
The IUPAC name of 1-[ethyl(methylamino)amino]-3-(methylamino)thiourea (CID 154429208) is 1-[ethyl(methylamino)amino]-3-(methylamino)thiourea.
What is the SMILES notation for 1-[ethyl(methylamino)amino]-3-(methylamino)thiourea?
The canonical SMILES for 1-[ethyl(methylamino)amino]-3-(methylamino)thiourea is CCN(NC)NC(=S)NNC.
What is the InChIKey of 1-[ethyl(methylamino)amino]-3-(methylamino)thiourea?
The InChIKey is BKOFMMVPFHGNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N5S/c1-4-10(7-3)9-5(11)8-6-2/h6-7H,4H2,1-3H3,(H2,8,9,11).
What are the key properties of 1-[ethyl(methylamino)amino]-3-(methylamino)thiourea?
1-[ethyl(methylamino)amino]-3-(methylamino)thiourea has a molecular weight of 177.28 g/mol, XLogP of -1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methylamino)amino]-3-(methylamino)thiourea is sourced from PubChem (CID 154429208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).