4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide

C13H14N4S — CID 61175375

IUPAC4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(Nc2cccnc2)n1
InChIInChI=1S/C13H14N4S/c1-8-6-9(2)16-13(11(8)12(14)18)17-10-4-3-5-15-7-10/h3-7H,1-2H3,(H2,14,18)(H,16,17)
InChIKeyMTUSVMBGPQZGOG-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.47
Rot. Bonds3

About 4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide

4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide (PubChem CID 61175375) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide
PubChem CID61175375
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(Nc2cccnc2)n1
InChIInChI=1S/C13H14N4S/c1-8-6-9(2)16-13(11(8)12(14)18)17-10-4-3-5-15-7-10/h3-7H,1-2H3,(H2,14,18)(H,16,17)
InChIKeyMTUSVMBGPQZGOG-UHFFFAOYSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-4-methylanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 63519800
2-(2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 61175770
5,6-diethyl-3-(pyridin-3-ylamino)pyridazine-4-carbothioamide
CID 80510897
2-(4-chloro-3-methoxyanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 107621979
4-anilino-2,6-dimethylpyridine-3-carbothioamide
CID 81060687
4-methyl-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carbothioamide
CID 107585630
2-(5-bromo-2-fluoroanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 63518202
2-(5-bromo-2-methoxyanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 63518731
2,6-dimethyl-4-(pyridin-3-ylmethylamino)pyridine-3-carbothioamide
CID 81053983
2-(2-chloro-4,6-difluoroanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 83074706
2-methyl-6-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 114765647
4-methyl-3-(pyridin-3-ylamino)benzoic acid
CID 82536002

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide (CID 61175375) is 4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(Nc2cccnc2)n1.
What is the InChIKey of 4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide?
The InChIKey is MTUSVMBGPQZGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-8-6-9(2)16-13(11(8)12(14)18)17-10-4-3-5-15-7-10/h3-7H,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide?
4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide has a molecular weight of 258.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(pyridin-3-ylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 61175375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).