6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide

C13H11FN2OS — CID 64593561

IUPAC6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(OCc2ccccc2F)n1
InChIInChI=1S/C13H11FN2OS/c14-10-5-2-1-4-9(10)8-17-12-7-3-6-11(16-12)13(15)18/h1-7H,8H2,(H2,15,18)
InChIKeySPTSIDRVCOPYEU-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.43
Rot. Bonds4

About 6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide

6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide (PubChem CID 64593561) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide
PubChem CID64593561
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(OCc2ccccc2F)n1
InChIInChI=1S/C13H11FN2OS/c14-10-5-2-1-4-9(10)8-17-12-7-3-6-11(16-12)13(15)18/h1-7H,8H2,(H2,15,18)
InChIKeySPTSIDRVCOPYEU-UHFFFAOYSA-N
XLogP2.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid
CID 66456909
2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide
CID 107108925
2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 63937150
2-[(2-fluorophenyl)methoxy]quinolin-6-amine
CID 63933634
6-(3-fluorophenoxy)pyridine-2-carbothioamide
CID 64593749
3-chloro-4-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 61389088
4-bromo-2-[(2-fluorophenyl)methoxy]pyridine
CID 124927405
4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80876879
2-chloro-6-[(2-fluorophenyl)methoxy]pyridin-4-amine
CID 114070689
6-(2-methylphenoxy)pyridine-2-carbothioamide
CID 64596092
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63933252

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide?
The IUPAC name of 6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide (CID 64593561) is 6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide?
The canonical SMILES for 6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide is NC(=S)c1cccc(OCc2ccccc2F)n1.
What is the InChIKey of 6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide?
The InChIKey is SPTSIDRVCOPYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c14-10-5-2-1-4-9(10)8-17-12-7-3-6-11(16-12)13(15)18/h1-7H,8H2,(H2,15,18).
What are the key properties of 6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide?
6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide has a molecular weight of 262.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide is sourced from PubChem (CID 64593561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).