imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione

C10H12N4S — CID 135214447

IUPACimidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione
SMILESCC(C)c1cn(C(=S)n2ccnc2)cn1
InChIInChI=1S/C10H12N4S/c1-8(2)9-5-14(7-12-9)10(15)13-4-3-11-6-13/h3-8H,1-2H3
InChIKeyNDRZYVBDRRHOGU-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.88
Rot. Bonds1

About imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione

imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione (PubChem CID 135214447) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione.

Molecular Properties

Compound Nameimidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione
PubChem CID135214447
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Nameimidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione
SMILESCC(C)c1cn(C(=S)n2ccnc2)cn1
InChIInChI=1S/C10H12N4S/c1-8(2)9-5-14(7-12-9)10(15)13-4-3-11-6-13/h3-8H,1-2H3
InChIKeyNDRZYVBDRRHOGU-UHFFFAOYSA-N
XLogP1.88
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N,N'-di(propan-2-yl)imidazole-1-carboximidamide
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N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine
CID 88748178
potassium imidazole-1-carbodithioate
CID 102210808
4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine
CID 133407803
imidazole-1-carboxamide;propan-2-ol
CID 121360857
1-imidazol-1-yl-2-iodo-2-methylpropane-1-thione
CID 135197295
1-imidazol-1-ylethanol
CID 18366448
1-ethyl-4-propan-2-ylimidazole
CID 10057571
N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
CID 164927407
1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole
CID 163475933

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione?
The IUPAC name of imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione (CID 135214447) is imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione.
What is the SMILES notation for imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione?
The canonical SMILES for imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione is CC(C)c1cn(C(=S)n2ccnc2)cn1.
What is the InChIKey of imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione?
The InChIKey is NDRZYVBDRRHOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-8(2)9-5-14(7-12-9)10(15)13-4-3-11-6-13/h3-8H,1-2H3.
What are the key properties of imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione?
imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione has a molecular weight of 220.30 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione is sourced from PubChem (CID 135214447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).