6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene

C16H14N2S — CID 134409661

IUPAC6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene
SMILESCC1(C)C=CC=c2c(sc3nc4ccccc4n23)=C1
InChIInChI=1S/C16H14N2S/c1-16(2)9-5-8-13-14(10-16)19-15-17-11-6-3-4-7-12(11)18(13)15/h3-10H,1-2H3
InChIKeyJTEXZEHMPDQLPN-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.71
Rot. Bonds

About 6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene

6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene (PubChem CID 134409661) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene.

Molecular Properties

Compound Name6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene
PubChem CID134409661
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene
SMILESCC1(C)C=CC=c2c(sc3nc4ccccc4n23)=C1
InChIInChI=1S/C16H14N2S/c1-16(2)9-5-8-13-14(10-16)19-15-17-11-6-3-4-7-12(11)18(13)15/h3-10H,1-2H3
InChIKeyJTEXZEHMPDQLPN-UHFFFAOYSA-N
XLogP2.71
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14906114
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CID 145383764
2-butyl-[1,2,4]thiadiazolo[4,5-a]benzimidazol-1-one
CID 13034031
(1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole
CID 144782307
(2Z)-2-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 684666
5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole
CID 126749759
3-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 1492413
4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine
CID 12782582
4-[4-(3-phenylquinoxalin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 170193584
4-(3-carbazol-9-ylcarbazol-9-yl)-17-thia-1,8,15,19-tetrazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546171
1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene?
The IUPAC name of 6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene (CID 134409661) is 6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene.
What is the SMILES notation for 6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene?
The canonical SMILES for 6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene is CC1(C)C=CC=c2c(sc3nc4ccccc4n23)=C1.
What is the InChIKey of 6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene?
The InChIKey is JTEXZEHMPDQLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-16(2)9-5-8-13-14(10-16)19-15-17-11-6-3-4-7-12(11)18(13)15/h3-10H,1-2H3.
What are the key properties of 6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene?
6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene has a molecular weight of 266.37 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-9-thia-1,11-diazatetracyclo[8.7.0.02,8.012,17]heptadeca-2,4,7,10,12,14,16-heptaene is sourced from PubChem (CID 134409661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).