N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide

C14H20N4OS — CID 2341738

IUPACN-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide
SMILESC=C(NNC(=S)NC(C)C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H20N4OS/c1-9(2)15-14(20)18-17-10(3)12-6-5-7-13(8-12)16-11(4)19/h5-9,17H,3H2,1-2,4H3,(H,16,19)(H2,15,18,20)
InChIKeyOSVBUBYPHGDHCY-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.99
Rot. Bonds5

About N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide

N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide (PubChem CID 2341738) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide
PubChem CID2341738
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide
SMILESC=C(NNC(=S)NC(C)C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H20N4OS/c1-9(2)15-14(20)18-17-10(3)12-6-5-7-13(8-12)16-11(4)19/h5-9,17H,3H2,1-2,4H3,(H,16,19)(H2,15,18,20)
InChIKeyOSVBUBYPHGDHCY-UHFFFAOYSA-N
XLogP1.99
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
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acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide (CID 2341738) is N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide is C=C(NNC(=S)NC(C)C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide?
The InChIKey is OSVBUBYPHGDHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9(2)15-14(20)18-17-10(3)12-6-5-7-13(8-12)16-11(4)19/h5-9,17H,3H2,1-2,4H3,(H,16,19)(H2,15,18,20).
What are the key properties of N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide?
N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide has a molecular weight of 292.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 2341738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).