N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide

C10H7FN2S2 — CID 146277086

IUPACN-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide
SMILESFc1ccccc1NC(=S)c1nccs1
InChIInChI=1S/C10H7FN2S2/c11-7-3-1-2-4-8(7)13-9(14)10-12-5-6-15-10/h1-6H,(H,13,14)
InChIKeyQCENJJZCCUVFOU-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.07
Rot. Bonds2

About N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide

N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide (PubChem CID 146277086) has the molecular formula C10H7FN2S2 and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide
PubChem CID146277086
Molecular FormulaC10H7FN2S2
Molecular Weight238.31 g/mol
Exact Mass238.00
IUPAC NameN-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide
SMILESFc1ccccc1NC(=S)c1nccs1
InChIInChI=1S/C10H7FN2S2/c11-7-3-1-2-4-8(7)13-9(14)10-12-5-6-15-10/h1-6H,(H,13,14)
InChIKeyQCENJJZCCUVFOU-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide?
The IUPAC name of N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide (CID 146277086) is N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide.
What is the SMILES notation for N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide?
The canonical SMILES for N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide is Fc1ccccc1NC(=S)c1nccs1.
What is the InChIKey of N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide?
The InChIKey is QCENJJZCCUVFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2S2/c11-7-3-1-2-4-8(7)13-9(14)10-12-5-6-15-10/h1-6H,(H,13,14).
What are the key properties of N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide?
N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide has a molecular weight of 238.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1,3-thiazole-2-carbothioamide is sourced from PubChem (CID 146277086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).