ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione

C15H22N4S — CID 161226804

IUPACethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione
SMILESCC.CC.S=c1[nH]cc(Cn2ccc3cccnc32)[nH]1
InChIInChI=1S/C11H10N4S.2C2H6/c16-11-13-6-9(14-11)7-15-5-3-8-2-1-4-12-10(8)15;2*1-2/h1-6H,7H2,(H2,13,14,16);2*1-2H3
InChIKeyUYFSXMTVZCLZIG-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.52
Rot. Bonds2

About ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione

ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione (PubChem CID 161226804) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Nameethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione
PubChem CID161226804
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Nameethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione
SMILESCC.CC.S=c1[nH]cc(Cn2ccc3cccnc32)[nH]1
InChIInChI=1S/C11H10N4S.2C2H6/c16-11-13-6-9(14-11)7-15-5-3-8-2-1-4-12-10(8)15;2*1-2/h1-6H,7H2,(H2,13,14,16);2*1-2H3
InChIKeyUYFSXMTVZCLZIG-UHFFFAOYSA-N
XLogP4.52
TPSA49.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine
CID 89472581
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
CID 156503188
N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide
CID 118437647
sodium;benzoyl chloride;6-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-1,3-dihydroimidazole-2-thione;(6-chloropyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;hydroxide
CID 158821516
1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine
CID 76852301
N-methyl-1-pyrrolo[2,3-b]pyridin-1-ylpropan-2-amine
CID 117223827
1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine
CID 59595069
trimethyl(2-pyrrolo[2,3-b]pyridin-1-yloxyethyl)silane
CID 153406221
4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine
CID 71778142
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
N-ethylpyrrolo[2,3-b]pyridin-1-amine
CID 10419482

Frequently Asked Questions

What is the IUPAC name of ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione (CID 161226804) is ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione is CC.CC.S=c1[nH]cc(Cn2ccc3cccnc32)[nH]1.
What is the InChIKey of ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is UYFSXMTVZCLZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S.2C2H6/c16-11-13-6-9(14-11)7-15-5-3-8-2-1-4-12-10(8)15;2*1-2/h1-6H,7H2,(H2,13,14,16);2*1-2H3.
What are the key properties of ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 290.44 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 161226804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).