methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate

C9H13N3S — CID 45116234

IUPACmethyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate
SMILESC/N=C(\SC)N(C)c1cccnc1
InChIInChI=1S/C9H13N3S/c1-10-9(13-3)12(2)8-5-4-6-11-7-8/h4-7H,1-3H3/b10-9-
InChIKeyPGBIXOVWSJWIEL-KTKRTIGZSA-N
MW195.29 g/mol
LogP1.87
Rot. Bonds1

About methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate

methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate (PubChem CID 45116234) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate
PubChem CID45116234
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Namemethyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate
SMILESC/N=C(\SC)N(C)c1cccnc1
InChIInChI=1S/C9H13N3S/c1-10-9(13-3)12(2)8-5-4-6-11-7-8/h4-7H,1-3H3/b10-9-
InChIKeyPGBIXOVWSJWIEL-KTKRTIGZSA-N
XLogP1.87
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate 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

N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
(2R)-N-methyl-2-methylsulfanyl-N-pyridin-3-ylpropanamide
CID 124505183
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557
formaldehyde;1-methyl-1-pyridin-3-ylhydrazine
CID 143631457
2-N'-methyl-2-N'-pyridin-3-ylpropane-2,2-diamine
CID 67770440
2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol
CID 115133332
3,3-dimethyl-4-[methyl(pyridin-3-yl)amino]-4-oxobutanoic acid
CID 115164800
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
methyl N'-benzyl-N-methyl-N-(pyridin-3-ylmethyl)carbamimidothioate
CID 54549572
5-amino-N-methyl-N-pyridin-3-ylhexanamide
CID 82852147
[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
CID 174507293
methyl N'-(2-methoxyethyl)-N-methyl-N-(pyridin-3-ylmethyl)carbamimidothioate
CID 54091558

Frequently Asked Questions

What is the IUPAC name of methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate?
The IUPAC name of methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate (CID 45116234) is methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate.
What is the SMILES notation for methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate?
The canonical SMILES for methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate is C/N=C(\SC)N(C)c1cccnc1.
What is the InChIKey of methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate?
The InChIKey is PGBIXOVWSJWIEL-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H13N3S/c1-10-9(13-3)12(2)8-5-4-6-11-7-8/h4-7H,1-3H3/b10-9-.
What are the key properties of methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate?
methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate has a molecular weight of 195.29 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N'-dimethyl-N-pyridin-3-ylcarbamimidothioate is sourced from PubChem (CID 45116234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).