N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C15H15FN4O2S2 — CID 8942076

IUPACN-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NNC(=S)NCc1ccc(F)cc1
InChIInChI=1S/C15H15FN4O2S2/c16-11-5-3-10(4-6-11)8-18-15(23)20-19-13(21)9-17-14(22)12-2-1-7-24-12/h1-7H,8-9H2,(H,17,22)(H,19,21)(H2,18,20,23)
InChIKeySDJGRCMPSJCJMZ-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.31
Rot. Bonds5

About N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 8942076) has the molecular formula C15H15FN4O2S2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID8942076
Molecular FormulaC15H15FN4O2S2
Molecular Weight366.44 g/mol
Exact Mass366.06
IUPAC NameN-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NNC(=S)NCc1ccc(F)cc1
InChIInChI=1S/C15H15FN4O2S2/c16-11-5-3-10(4-6-11)8-18-15(23)20-19-13(21)9-17-14(22)12-2-1-7-24-12/h1-7H,8-9H2,(H,17,22)(H,19,21)(H2,18,20,23)
InChIKeySDJGRCMPSJCJMZ-UHFFFAOYSA-N
XLogP1.31
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.31
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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Related Compounds

(4-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158551
N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 18273574
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
1-[(4-fluorophenyl)methyl]-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiourea
CID 8942724
1-[(4-methoxyphenyl)methyl]-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]thiourea
CID 9478932
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18154158
N-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 42008667
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 86822231
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 134020922
N-benzylthiophene-2-carboxamide
CID 574227
1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
CID 8942575
N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide
CID 166453822

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 8942076) is N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NNC(=S)NCc1ccc(F)cc1.
What is the InChIKey of N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SDJGRCMPSJCJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S2/c16-11-5-3-10(4-6-11)8-18-15(23)20-19-13(21)9-17-14(22)12-2-1-7-24-12/h1-7H,8-9H2,(H,17,22)(H,19,21)(H2,18,20,23).
What are the key properties of N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 8942076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).