4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione

C14H15FN2S — CID 142833296

IUPAC4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione
SMILESFC1=CC2=C(C=CC1)C(Cc1c[nH]c(=S)[nH]1)CC2
InChIInChI=1S/C14H15FN2S/c15-11-2-1-3-13-9(6-11)4-5-10(13)7-12-8-16-14(18)17-12/h1,3,6,8,10H,2,4-5,7H2,(H2,16,17,18)
InChIKeyQYVRZAUONKRWHQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.13
Rot. Bonds2

About 4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione

4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 142833296) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione
PubChem CID142833296
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione
SMILESFC1=CC2=C(C=CC1)C(Cc1c[nH]c(=S)[nH]1)CC2
InChIInChI=1S/C14H15FN2S/c15-11-2-1-3-13-9(6-11)4-5-10(13)7-12-8-16-14(18)17-12/h1,3,6,8,10H,2,4-5,7H2,(H2,16,17,18)
InChIKeyQYVRZAUONKRWHQ-UHFFFAOYSA-N
XLogP4.13
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Cyclopent-3-en-1-ylmethyl)-1H-imidazole-2(3H)-thione
CID 9815415
4-[[(1S)-2-[(2E,4E)-1,5-difluorohexa-2,4-dien-3-yl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 143208224
4-[[2-(6-Fluorocyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 143208299
4-[[2-(3-Fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 143208303
4-[[2-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-3-propan-2-ylcyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 142833275
4-[(3-Methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 11506623
4-(Cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11644077
4-(Cyclohex-3-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 16122798
4-(1-Cyclopent-2-en-1-ylbut-3-enyl)-1,3-dihydroimidazole-2-thione
CID 21986085
4-[(2-Ethenylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 21986180
4-[[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 23549524
4-[(2-Methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 59679583

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione (CID 142833296) is 4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione is FC1=CC2=C(C=CC1)C(Cc1c[nH]c(=S)[nH]1)CC2.
What is the InChIKey of 4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is QYVRZAUONKRWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-11-2-1-3-13-9(6-11)4-5-10(13)7-12-8-16-14(18)17-12/h1,3,6,8,10H,2,4-5,7H2,(H2,16,17,18).
What are the key properties of 4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 262.35 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 142833296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).