1-(4-methyl-2-pyridinyl)imidazolidine-2-thione

C9H11N3S — CID 10867192

IUPAC1-(4-methyl-2-pyridinyl)imidazolidine-2-thione
SMILESCc1ccnc(N2CCNC2=S)c1
InChIInChI=1S/C9H11N3S/c1-7-2-3-10-8(6-7)12-5-4-11-9(12)13/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyPEOLZZZJFSIUHG-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.08
Rot. Bonds1

About 1-(4-methyl-2-pyridinyl)imidazolidine-2-thione

1-(4-methyl-2-pyridinyl)imidazolidine-2-thione (PubChem CID 10867192) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)imidazolidine-2-thione
PubChem CID10867192
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name1-(4-methyl-2-pyridinyl)imidazolidine-2-thione
SMILESCc1ccnc(N2CCNC2=S)c1
InChIInChI=1S/C9H11N3S/c1-7-2-3-10-8(6-7)12-5-4-11-9(12)13/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyPEOLZZZJFSIUHG-UHFFFAOYSA-N
XLogP1.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)imidazolidine-2-thione?
The IUPAC name of 1-(4-methyl-2-pyridinyl)imidazolidine-2-thione (CID 10867192) is 1-(4-methyl-2-pyridinyl)imidazolidine-2-thione.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)imidazolidine-2-thione?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)imidazolidine-2-thione is Cc1ccnc(N2CCNC2=S)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)imidazolidine-2-thione?
The InChIKey is PEOLZZZJFSIUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-2-3-10-8(6-7)12-5-4-11-9(12)13/h2-3,6H,4-5H2,1H3,(H,11,13).
What are the key properties of 1-(4-methyl-2-pyridinyl)imidazolidine-2-thione?
1-(4-methyl-2-pyridinyl)imidazolidine-2-thione has a molecular weight of 193.28 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)imidazolidine-2-thione is sourced from PubChem (CID 10867192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).