7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

C18H24N6S — CID 56927213

IUPAC7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
SMILESCCN1CCN(Cc2nc3sc4c(c3c3nncn23)CCCC4)CC1
InChIInChI=1S/C18H24N6S/c1-2-22-7-9-23(10-8-22)11-15-20-18-16(17-21-19-12-24(15)17)13-5-3-4-6-14(13)25-18/h12H,2-11H2,1H3
InChIKeyZNSGUJJQAFBRIU-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.36
Rot. Bonds3

About 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene (PubChem CID 56927213) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.

Molecular Properties

Compound Name7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
PubChem CID56927213
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
SMILESCCN1CCN(Cc2nc3sc4c(c3c3nncn23)CCCC4)CC1
InChIInChI=1S/C18H24N6S/c1-2-22-7-9-23(10-8-22)11-15-20-18-16(17-21-19-12-24(15)17)13-5-3-4-6-14(13)25-18/h12H,2-11H2,1H3
InChIKeyZNSGUJJQAFBRIU-UHFFFAOYSA-N
XLogP2.36
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene with MolForge

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Related Compounds

10-[(4-ethylpiperazin-1-yl)methyl]-12-(4-fluorophenyl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
CID 56927163
3-(2-methylphenyl)-2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 10834422
5-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 736290
2-[4-oxo-2-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetonitrile
CID 2121595
7-(chloromethyl)-10-thia-3,4,5,6,8-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 14092002
5-(2-phenylethyl)-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 709272
3-[3-(4-ethylphenoxy)propyl]-2-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 23411576
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 60505676
N-ethyl-10-[(4-methylpiperidin-1-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9280895
5-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
CID 2841058
3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 23411687
12-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 35477883

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene?
The IUPAC name of 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene (CID 56927213) is 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
What is the SMILES notation for 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene?
The canonical SMILES for 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene is CCN1CCN(Cc2nc3sc4c(c3c3nncn23)CCCC4)CC1.
What is the InChIKey of 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene?
The InChIKey is ZNSGUJJQAFBRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-2-22-7-9-23(10-8-22)11-15-20-18-16(17-21-19-12-24(15)17)13-5-3-4-6-14(13)25-18/h12H,2-11H2,1H3.
What are the key properties of 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene?
7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene has a molecular weight of 356.50 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethylpiperazin-1-yl)methyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene is sourced from PubChem (CID 56927213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).