2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide

C14H14FN3S — CID 61175770

IUPAC2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(Nc2ccccc2F)n1
InChIInChI=1S/C14H14FN3S/c1-8-7-9(2)17-14(12(8)13(16)19)18-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H2,16,19)(H,17,18)
InChIKeyHQAMVYNIAVURGA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.22
Rot. Bonds3

About 2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide

2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide (PubChem CID 61175770) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide
PubChem CID61175770
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(Nc2ccccc2F)n1
InChIInChI=1S/C14H14FN3S/c1-8-7-9(2)17-14(12(8)13(16)19)18-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H2,16,19)(H,17,18)
InChIKeyHQAMVYNIAVURGA-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.22
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

2-(5-bromo-2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 63518202
2-(2-chloro-4,6-difluoroanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 83074706
4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide
CID 61175375
4-anilino-2,6-dimethylpyridine-3-carbothioamide
CID 81060687
2-(5-bromo-2-methoxyanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 63518731
4-(2-fluoroanilino)-2-methylbenzenecarbothioamide
CID 81279277
2-(3-bromo-4-methylanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 63519800
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
2-(4-chloro-3-methoxyanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 107621979
3-(2-fluoroanilino)pyridazine-4-carbothioamide
CID 80510994
4-(2-iodoanilino)-2,6-dimethylpyridine-3-carbothioamide
CID 81054817
2-fluoro-6-(quinolin-3-ylamino)benzenecarbothioamide
CID 79515422

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide (CID 61175770) is 2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(Nc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is HQAMVYNIAVURGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-8-7-9(2)17-14(12(8)13(16)19)18-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide?
2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 275.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 61175770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).