2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine

C10H11N3S — CID 52662333

IUPAC2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
SMILESCn1ccnc1CSc1ccccn1
InChIInChI=1S/C10H11N3S/c1-13-7-6-11-9(13)8-14-10-4-2-3-5-12-10/h2-7H,8H2,1H3
InChIKeyLJLYBANAYXBDOW-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.11
Rot. Bonds3

About 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine

2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine (PubChem CID 52662333) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
PubChem CID52662333
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
SMILESCn1ccnc1CSc1ccccn1
InChIInChI=1S/C10H11N3S/c1-13-7-6-11-9(13)8-14-10-4-2-3-5-12-10/h2-7H,8H2,1H3
InChIKeyLJLYBANAYXBDOW-UHFFFAOYSA-N
XLogP2.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
CID 71392356
4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol
CID 112596145
2-[[2,4,6-trimethyl-3,5-bis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
CID 11329310
2,5-bis[(1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 52662332
2-[(1-methylimidazol-2-yl)methylsulfanyl]-1H-benzimidazole
CID 47259171
3-[(1-methylimidazol-2-yl)methylsulfanyl]aniline
CID 79133511
2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride
CID 11567222
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
CID 112731558
1-(1-methylpyrrol-3-yl)-2-pyridin-2-ylsulfanylethanone
CID 43218718

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine (CID 52662333) is 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine is Cn1ccnc1CSc1ccccn1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine?
The InChIKey is LJLYBANAYXBDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-13-7-6-11-9(13)8-14-10-4-2-3-5-12-10/h2-7H,8H2,1H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine?
2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine has a molecular weight of 205.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine is sourced from PubChem (CID 52662333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).