N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide

C10H7FN2OS2 — CID 71612507

IUPACN-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1csc(=S)[nH]1
InChIInChI=1S/C10H7FN2OS2/c11-6-2-1-3-7(4-6)12-9(14)8-5-16-10(15)13-8/h1-5H,(H,12,14)(H,13,15)
InChIKeyFHWTUJVOFMBRDB-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.20
Rot. Bonds2

About N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide

N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide (PubChem CID 71612507) has the molecular formula C10H7FN2OS2 and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
PubChem CID71612507
Molecular FormulaC10H7FN2OS2
Molecular Weight254.31 g/mol
Exact Mass254.00
IUPAC NameN-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1csc(=S)[nH]1
InChIInChI=1S/C10H7FN2OS2/c11-6-2-1-3-7(4-6)12-9(14)8-5-16-10(15)13-8/h1-5H,(H,12,14)(H,13,15)
InChIKeyFHWTUJVOFMBRDB-UHFFFAOYSA-N
XLogP3.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-N-(2-fluorophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
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N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide (CID 71612507) is N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(F)c1)c1csc(=S)[nH]1.
What is the InChIKey of N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The InChIKey is FHWTUJVOFMBRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2OS2/c11-6-2-1-3-7(4-6)12-9(14)8-5-16-10(15)13-8/h1-5H,(H,12,14)(H,13,15).
What are the key properties of N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71612507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).