(7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene

C14H14F2N2S — CID 130360285

IUPAC(7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene
SMILESFC1(F)CCC([C@H]2c3sccc3-c3cncn32)CC1
InChIInChI=1S/C14H14F2N2S/c15-14(16)4-1-9(2-5-14)12-13-10(3-6-19-13)11-7-17-8-18(11)12/h3,6-9,12H,1-2,4-5H2/t12-/m0/s1
InChIKeyVTTNCHRCSOPDOG-LBPRGKRZSA-N
MW280.34 g/mol
LogP4.34
Rot. Bonds1

About (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene

(7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene (PubChem CID 130360285) has the molecular formula C14H14F2N2S and a molecular weight of 280.34 g/mol. Its IUPAC name is (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene.

Molecular Properties

Compound Name(7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene
PubChem CID130360285
Molecular FormulaC14H14F2N2S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name(7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene
SMILESFC1(F)CCC([C@H]2c3sccc3-c3cncn32)CC1
InChIInChI=1S/C14H14F2N2S/c15-14(16)4-1-9(2-5-14)12-13-10(3-6-19-13)11-7-17-8-18(11)12/h3,6-9,12H,1-2,4-5H2/t12-/m0/s1
InChIKeyVTTNCHRCSOPDOG-LBPRGKRZSA-N
XLogP4.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene with MolForge

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Related Compounds

1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}aniline
CID 6539902
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
5-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329792
3-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329793
5-(1-(1H-imidazol-1-yl)ethyl)-2-(thiophen-3-yl)pyridine
CID 57330005
5-(Cyclopropyl(1H-imidazol-1-yl)methyl)-2-(thiophen-3-yl)pyridine
CID 57330006
5-Imidazol-1-ylmethyl-2-thiophen-3-yl-pyridine
CID 67515607
CID 130360286
CID 130360286
Disubstituted imidazole 27
CID 6539909
1-[(2-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539908

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene?
The IUPAC name of (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene (CID 130360285) is (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene.
What is the SMILES notation for (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene?
The canonical SMILES for (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene is FC1(F)CCC([C@H]2c3sccc3-c3cncn32)CC1.
What is the InChIKey of (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene?
The InChIKey is VTTNCHRCSOPDOG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14F2N2S/c15-14(16)4-1-9(2-5-14)12-13-10(3-6-19-13)11-7-17-8-18(11)12/h3,6-9,12H,1-2,4-5H2/t12-/m0/s1.
What are the key properties of (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene?
(7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene has a molecular weight of 280.34 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4,4-difluorocyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene is sourced from PubChem (CID 130360285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).