2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide

C13H10FN3O2S2 — CID 3324993

IUPAC2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
SMILESO=C(NNC(=S)NC(=O)c1ccccc1F)c1cccs1
InChIInChI=1S/C13H10FN3O2S2/c14-9-5-2-1-4-8(9)11(18)15-13(20)17-16-12(19)10-6-3-7-21-10/h1-7H,(H,16,19)(H2,15,17,18,20)
InChIKeyHFPZXECPWJFBAV-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.84
Rot. Bonds2

About 2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide

2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide (PubChem CID 3324993) has the molecular formula C13H10FN3O2S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
PubChem CID3324993
Molecular FormulaC13H10FN3O2S2
Molecular Weight323.37 g/mol
Exact Mass323.02
IUPAC Name2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
SMILESO=C(NNC(=S)NC(=O)c1ccccc1F)c1cccs1
InChIInChI=1S/C13H10FN3O2S2/c14-9-5-2-1-4-8(9)11(18)15-13(20)17-16-12(19)10-6-3-7-21-10/h1-7H,(H,16,19)(H2,15,17,18,20)
InChIKeyHFPZXECPWJFBAV-UHFFFAOYSA-N
XLogP1.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
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

N-(anilinocarbamothioyl)thiophene-2-carboxamide
CID 17100252
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
2-fluoro-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4950483
3-bromo-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324996
N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide
CID 3319055
6-chloro-2-phenyl-N-[(thiophene-2-carbonylamino)carbamothioyl]quinoline-4-carboxamide
CID 86655537
N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
CID 4507493
1-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 848929
4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3322125
N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-fluorobenzamide
CID 4950541
N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17150440

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide?
The IUPAC name of 2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide (CID 3324993) is 2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide is O=C(NNC(=S)NC(=O)c1ccccc1F)c1cccs1.
What is the InChIKey of 2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide?
The InChIKey is HFPZXECPWJFBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S2/c14-9-5-2-1-4-8(9)11(18)15-13(20)17-16-12(19)10-6-3-7-21-10/h1-7H,(H,16,19)(H2,15,17,18,20).
What are the key properties of 2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide?
2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide has a molecular weight of 323.37 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide is sourced from PubChem (CID 3324993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).