10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene

C14H14N2S2 — CID 83086221

IUPAC10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
SMILESCCc1ccc(-c2cn3c4c(sc3n2)CCC4)s1
InChIInChI=1S/C14H14N2S2/c1-2-9-6-7-12(17-9)10-8-16-11-4-3-5-13(11)18-14(16)15-10/h6-8H,2-5H2,1H3
InChIKeyLNIZFJLFNOZNGC-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.18
Rot. Bonds2

About 10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene

10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene (PubChem CID 83086221) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene.

Molecular Properties

Compound Name10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
PubChem CID83086221
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
SMILESCCc1ccc(-c2cn3c4c(sc3n2)CCC4)s1
InChIInChI=1S/C14H14N2S2/c1-2-9-6-7-12(17-9)10-8-16-11-4-3-5-13(11)18-14(16)15-10/h6-8H,2-5H2,1H3
InChIKeyLNIZFJLFNOZNGC-UHFFFAOYSA-N
XLogP4.18
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The IUPAC name of 10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene (CID 83086221) is 10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene.
What is the SMILES notation for 10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The canonical SMILES for 10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene is CCc1ccc(-c2cn3c4c(sc3n2)CCC4)s1.
What is the InChIKey of 10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The InChIKey is LNIZFJLFNOZNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-2-9-6-7-12(17-9)10-8-16-11-4-3-5-13(11)18-14(16)15-10/h6-8H,2-5H2,1H3.
What are the key properties of 10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene has a molecular weight of 274.41 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene is sourced from PubChem (CID 83086221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).