2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide

C14H13F2N3S — CID 82818032

IUPAC2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2c(F)ccc(C)c2F)n1
InChIInChI=1S/C14H13F2N3S/c1-7-3-6-10(15)12(11(7)16)19-14-9(13(17)20)5-4-8(2)18-14/h3-6H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyPLMCQRHKOYLLDZ-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.35
Rot. Bonds3

About 2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide

2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide (PubChem CID 82818032) has the molecular formula C14H13F2N3S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide
PubChem CID82818032
Molecular FormulaC14H13F2N3S
Molecular Weight293.34 g/mol
Exact Mass293.08
IUPAC Name2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2c(F)ccc(C)c2F)n1
InChIInChI=1S/C14H13F2N3S/c1-7-3-6-10(15)12(11(7)16)19-14-9(13(17)20)5-4-8(2)18-14/h3-6H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyPLMCQRHKOYLLDZ-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.35
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

4-(2,6-difluoro-3-methylanilino)-2-methylbenzenecarbothioamide
CID 82818839
4-(2,6-difluoro-3-methylanilino)-2-fluorobenzenecarbothioamide
CID 82818840
2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide
CID 63513755
2-(2-bromo-6-chloro-4-fluoroanilino)-6-methylpyridine-3-carbothioamide
CID 107612281
2-(2,6-difluoro-3-methylanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547881
2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide
CID 63519396
6-methyl-2-[4-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63519561
2-(4-bromo-3-methylanilino)-6-methylpyridine-3-carbothioamide
CID 55225372
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbothioamide
CID 82818596
6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63515166
2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide
CID 55224619
2-(3-bromo-2-methylanilino)-6-methylpyridine-3-carbothioamide
CID 107635463

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide?
The IUPAC name of 2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide (CID 82818032) is 2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide?
The canonical SMILES for 2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(Nc2c(F)ccc(C)c2F)n1.
What is the InChIKey of 2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide?
The InChIKey is PLMCQRHKOYLLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3S/c1-7-3-6-10(15)12(11(7)16)19-14-9(13(17)20)5-4-8(2)18-14/h3-6H,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide?
2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide has a molecular weight of 293.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide is sourced from PubChem (CID 82818032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).