methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate

C13H14N2OS — CID 10776832

IUPACmethyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate
SMILESCS/C(=N/c1cc(C)cc(C)n1)c1ccco1
InChIInChI=1S/C13H14N2OS/c1-9-7-10(2)14-12(8-9)15-13(17-3)11-5-4-6-16-11/h4-8H,1-3H3/b15-13+
InChIKeyCKRSBGGGNHURFR-FYWRMAATSA-N
MW246.33 g/mol
LogP3.73
Rot. Bonds2

About methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate

methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate (PubChem CID 10776832) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate.

Molecular Properties

Compound Namemethyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate
PubChem CID10776832
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Namemethyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate
SMILESCS/C(=N/c1cc(C)cc(C)n1)c1ccco1
InChIInChI=1S/C13H14N2OS/c1-9-7-10(2)14-12(8-9)15-13(17-3)11-5-4-6-16-11/h4-8H,1-3H3/b15-13+
InChIKeyCKRSBGGGNHURFR-FYWRMAATSA-N
XLogP3.73
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate
CID 137310569
methyl (2E)-N-hydroxyfuran-2-carboximidothioate
CID 119098066
S-(4-methyl-6-oxo-1H-pyrimidin-2-yl) furan-2-carbothioate
CID 135515749
N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide
CID 11994827
1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-[4-(furan-2-carbonyl)piperazin-1-yl]carbonimidoyl]-3-(4-methylphenyl)urea
CID 135771540
(E)-N-(4,6-dimethyl-2-pyridinyl)-1-(2-methoxyphenyl)methanimine
CID 10633800
3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 55237816
1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 62016952
(E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine
CID 13285530
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide
CID 162738457
sulfane;2,4,6-trimethylpyridine
CID 69294176

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate?
The IUPAC name of methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate (CID 10776832) is methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate.
What is the SMILES notation for methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate?
The canonical SMILES for methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate is CS/C(=N/c1cc(C)cc(C)n1)c1ccco1.
What is the InChIKey of methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate?
The InChIKey is CKRSBGGGNHURFR-FYWRMAATSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-7-10(2)14-12(8-9)15-13(17-3)11-5-4-6-16-11/h4-8H,1-3H3/b15-13+.
What are the key properties of methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate?
methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate has a molecular weight of 246.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate is sourced from PubChem (CID 10776832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).