N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine

C11H14N4S — CID 62468722

IUPACN-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCNc1ncccc1CSc1nccn1C
InChIInChI=1S/C11H14N4S/c1-12-10-9(4-3-5-13-10)8-16-11-14-6-7-15(11)2/h3-7H,8H2,1-2H3,(H,12,13)
InChIKeyLSSSRSJNQWNGJO-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.15
Rot. Bonds4

About N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine

N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62468722) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID62468722
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCNc1ncccc1CSc1nccn1C
InChIInChI=1S/C11H14N4S/c1-12-10-9(4-3-5-13-10)8-16-11-14-6-7-15(11)2/h3-7H,8H2,1-2H3,(H,12,13)
InChIKeyLSSSRSJNQWNGJO-UHFFFAOYSA-N
XLogP2.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine 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-ethyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 62468721
1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole
CID 5063073
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 63486421
1-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 47095383
3-[[2-(methylamino)-3-pyridinyl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 62883308
N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62468212
N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine
CID 62468559
N-methyl-3-(propan-2-ylsulfanylmethyl)pyridin-2-amine
CID 62467144
N-methyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467120
2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
CID 19727760
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 106925655
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine (CID 62468722) is N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine is CNc1ncccc1CSc1nccn1C.
What is the InChIKey of N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is LSSSRSJNQWNGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-12-10-9(4-3-5-13-10)8-16-11-14-6-7-15(11)2/h3-7H,8H2,1-2H3,(H,12,13).
What are the key properties of N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62468722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).