3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene

C7H7N5S — CID 15836914

IUPAC3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene
SMILESCc1nn(C)c2c1sc1nncn12
InChIInChI=1S/C7H7N5S/c1-4-5-6(11(2)10-4)12-3-8-9-7(12)13-5/h3H,1-2H3
InChIKeyGXHXWYPFYXTSRC-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.99
Rot. Bonds

About 3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene

3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene (PubChem CID 15836914) has the molecular formula C7H7N5S and a molecular weight of 193.23 g/mol. Its IUPAC name is 3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene.

Molecular Properties

Compound Name3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene
PubChem CID15836914
Molecular FormulaC7H7N5S
Molecular Weight193.23 g/mol
Exact Mass193.04
IUPAC Name3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene
SMILESCc1nn(C)c2c1sc1nncn12
InChIInChI=1S/C7H7N5S/c1-4-5-6(11(2)10-4)12-3-8-9-7(12)13-5/h3H,1-2H3
InChIKeyGXHXWYPFYXTSRC-UHFFFAOYSA-N
XLogP0.99
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-1H,2H,5H-pyrazolo[3,4-d][1,3]thiazol-5-imine
CID 83667885
N-cyclopentyl-N'-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 72881792
N-[(1-isobutylpyrrolidin-3-yl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72883385
N-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N,N',N'-trimethylethane-1,2-diamine
CID 72897142
N-cyclopentyl-N-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 72923328
1,3-dimethyl-5-[(3aS*,6aS*)-1-methylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72924639
N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97277734
1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97282916
1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 97445950
5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 164643299
1-Methyl-3-(trifluoromethyl)pyrazolo[5,4-d][1,3]thiazole
CID 145769866
3-(Difluoromethyl)-1-methylpyrazolo[5,4-d][1,3]thiazole
CID 145769878

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene?
The IUPAC name of 3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene (CID 15836914) is 3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene.
What is the SMILES notation for 3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene?
The canonical SMILES for 3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene is Cc1nn(C)c2c1sc1nncn12.
What is the InChIKey of 3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene?
The InChIKey is GXHXWYPFYXTSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S/c1-4-5-6(11(2)10-4)12-3-8-9-7(12)13-5/h3H,1-2H3.
What are the key properties of 3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene?
3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene has a molecular weight of 193.23 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene is sourced from PubChem (CID 15836914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).