1-ethyl-3-[methyl(propanoyl)amino]thiourea

C7H15N3OS — CID 91730293

IUPAC1-ethyl-3-[methyl(propanoyl)amino]thiourea
SMILESCCNC(=S)NN(C)C(=O)CC
InChIInChI=1S/C7H15N3OS/c1-4-6(11)10(3)9-7(12)8-5-2/h4-5H2,1-3H3,(H2,8,9,12)
InChIKeyTZWVIYFHCYHKFN-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.25
Rot. Bonds2

About 1-ethyl-3-[methyl(propanoyl)amino]thiourea

1-ethyl-3-[methyl(propanoyl)amino]thiourea (PubChem CID 91730293) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-ethyl-3-[methyl(propanoyl)amino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[methyl(propanoyl)amino]thiourea
PubChem CID91730293
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name1-ethyl-3-[methyl(propanoyl)amino]thiourea
SMILESCCNC(=S)NN(C)C(=O)CC
InChIInChI=1S/C7H15N3OS/c1-4-6(11)10(3)9-7(12)8-5-2/h4-5H2,1-3H3,(H2,8,9,12)
InChIKeyTZWVIYFHCYHKFN-UHFFFAOYSA-N
XLogP0.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-3-[methyl(propanoyl)amino]thiourea?
The IUPAC name of 1-ethyl-3-[methyl(propanoyl)amino]thiourea (CID 91730293) is 1-ethyl-3-[methyl(propanoyl)amino]thiourea.
What is the SMILES notation for 1-ethyl-3-[methyl(propanoyl)amino]thiourea?
The canonical SMILES for 1-ethyl-3-[methyl(propanoyl)amino]thiourea is CCNC(=S)NN(C)C(=O)CC.
What is the InChIKey of 1-ethyl-3-[methyl(propanoyl)amino]thiourea?
The InChIKey is TZWVIYFHCYHKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-4-6(11)10(3)9-7(12)8-5-2/h4-5H2,1-3H3,(H2,8,9,12).
What are the key properties of 1-ethyl-3-[methyl(propanoyl)amino]thiourea?
1-ethyl-3-[methyl(propanoyl)amino]thiourea has a molecular weight of 189.28 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[methyl(propanoyl)amino]thiourea is sourced from PubChem (CID 91730293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).