6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

C10H10N2S — CID 138722117

IUPAC6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESCC(C)C1=c2ccsc2=NC=C=N1
InChIInChI=1S/C10H10N2S/c1-7(2)9-8-3-6-13-10(8)12-5-4-11-9/h3,5-7H,1-2H3
InChIKeyMFJIDFQIGYEVBK-UHFFFAOYSA-N
MW190.27 g/mol
LogP1.33
Rot. Bonds1

About 6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (PubChem CID 138722117) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.

Molecular Properties

Compound Name6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
PubChem CID138722117
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESCC(C)C1=c2ccsc2=NC=C=N1
InChIInChI=1S/C10H10N2S/c1-7(2)9-8-3-6-13-10(8)12-5-4-11-9/h3,5-7H,1-2H3
InChIKeyMFJIDFQIGYEVBK-UHFFFAOYSA-N
XLogP1.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethyl-5H-thieno[2,3-b]azepine
CID 123293227
2-Propan-2-yl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 134590916
2-Propan-2-yl-10-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138722120
6-Propan-2-yl-10-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138722173
6-Propan-2-yl-8-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138746138
(3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine
CID 143154757
6-Butan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 156215765
(3E)-N-ethenyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 170593186

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The IUPAC name of 6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (CID 138722117) is 6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.
What is the SMILES notation for 6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The canonical SMILES for 6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is CC(C)C1=c2ccsc2=NC=C=N1.
What is the InChIKey of 6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The InChIKey is MFJIDFQIGYEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-7(2)9-8-3-6-13-10(8)12-5-4-11-9/h3,5-7H,1-2H3.
What are the key properties of 6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene has a molecular weight of 190.27 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is sourced from PubChem (CID 138722117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).