N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide

C14H14N4O2S2 — CID 18273574

IUPACN-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NNC(=S)Nc1ccccc1
InChIInChI=1S/C14H14N4O2S2/c19-12(9-15-13(20)11-7-4-8-22-11)17-18-14(21)16-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,20)(H,17,19)(H2,16,18,21)
InChIKeyFBWQZEIYTIXUPQ-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.50
Rot. Bonds4

About N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide (PubChem CID 18273574) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide
PubChem CID18273574
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC NameN-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NNC(=S)Nc1ccccc1
InChIInChI=1S/C14H14N4O2S2/c19-12(9-15-13(20)11-7-4-8-22-11)17-18-14(21)16-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,20)(H,17,19)(H2,16,18,21)
InChIKeyFBWQZEIYTIXUPQ-UHFFFAOYSA-N
XLogP1.50
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.50
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

1-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-3-phenylthiourea
CID 22830769
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 8942076
1-(4-bromophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 18708934
1-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 848929
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18154158
N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
CID 24538901
N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 40730667
N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-(anilinocarbamothioyl)thiophene-2-carboxamide
CID 17100252
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 29370149

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide (CID 18273574) is N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NNC(=S)Nc1ccccc1.
What is the InChIKey of N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide?
The InChIKey is FBWQZEIYTIXUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c19-12(9-15-13(20)11-7-4-8-22-11)17-18-14(21)16-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,20)(H,17,19)(H2,16,18,21).
What are the key properties of N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide has a molecular weight of 334.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18273574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).