propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate

C15H24N2S — CID 44574698

IUPACpropan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate
SMILESCCCc1ccc(N/C(=N/CC)SC(C)C)cc1
InChIInChI=1S/C15H24N2S/c1-5-7-13-8-10-14(11-9-13)17-15(16-6-2)18-12(3)4/h8-12H,5-7H2,1-4H3,(H,16,17)
InChIKeyUQZBPRNHTKJXKI-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.57
Rot. Bonds5

About propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate

propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate (PubChem CID 44574698) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate.

Molecular Properties

Compound Namepropan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate
PubChem CID44574698
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Namepropan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate
SMILESCCCc1ccc(N/C(=N/CC)SC(C)C)cc1
InChIInChI=1S/C15H24N2S/c1-5-7-13-8-10-14(11-9-13)17-15(16-6-2)18-12(3)4/h8-12H,5-7H2,1-4H3,(H,16,17)
InChIKeyUQZBPRNHTKJXKI-UHFFFAOYSA-N
XLogP4.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate?
The IUPAC name of propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate (CID 44574698) is propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate.
What is the SMILES notation for propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate?
The canonical SMILES for propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate is CCCc1ccc(N/C(=N/CC)SC(C)C)cc1.
What is the InChIKey of propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate?
The InChIKey is UQZBPRNHTKJXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-5-7-13-8-10-14(11-9-13)17-15(16-6-2)18-12(3)4/h8-12H,5-7H2,1-4H3,(H,16,17).
What are the key properties of propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate?
propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate has a molecular weight of 264.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N'-ethyl-N-(4-propylphenyl)carbamimidothioate is sourced from PubChem (CID 44574698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).