8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine

C12H9N5S — CID 139688202

IUPAC8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine
SMILESNc1nnc2cc3c(nn12)-c1ccccc1SC3
InChIInChI=1S/C12H9N5S/c13-12-15-14-10-5-7-6-18-9-4-2-1-3-8(9)11(7)16-17(10)12/h1-5H,6H2,(H2,13,15)
InChIKeyFSCFHAABNPZZNP-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.98
Rot. Bonds

About 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine

8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine (PubChem CID 139688202) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine.

Molecular Properties

Compound Name8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine
PubChem CID139688202
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine
SMILESNc1nnc2cc3c(nn12)-c1ccccc1SC3
InChIInChI=1S/C12H9N5S/c13-12-15-14-10-5-7-6-18-9-4-2-1-3-8(9)11(7)16-17(10)12/h1-5H,6H2,(H2,13,15)
InChIKeyFSCFHAABNPZZNP-UHFFFAOYSA-N
XLogP1.98
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine
CID 139688216
15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
CID 139688222
15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
CID 139688243
6-naphthalen-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 70447996
N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 63550137
2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one
CID 19825026
[1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279221
1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine
CID 61336636
8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
CID 107646806
4-(6H-benzo[c]thiochromen-2-yl)aniline
CID 165116806
1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride
CID 155822270
5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine
CID 14837196

Frequently Asked Questions

What is the IUPAC name of 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine?
The IUPAC name of 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine (CID 139688202) is 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine.
What is the SMILES notation for 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine?
The canonical SMILES for 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine is Nc1nnc2cc3c(nn12)-c1ccccc1SC3.
What is the InChIKey of 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine?
The InChIKey is FSCFHAABNPZZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c13-12-15-14-10-5-7-6-18-9-4-2-1-3-8(9)11(7)16-17(10)12/h1-5H,6H2,(H2,13,15).
What are the key properties of 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine?
8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine has a molecular weight of 255.31 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine is sourced from PubChem (CID 139688202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).