4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine

C17H14N6S — CID 58801606

IUPAC4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
SMILESCNc1nc2sc(-c3ccc4[nH]ccc4c3)nc2c2c1ncn2C
InChIInChI=1S/C17H14N6S/c1-18-15-12-14(23(2)8-20-12)13-17(22-15)24-16(21-13)10-3-4-11-9(7-10)5-6-19-11/h3-8,19H,1-2H3,(H,18,22)
InChIKeyZSOGQXCGAJZIGV-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.77
Rot. Bonds2

About 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine

4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine (PubChem CID 58801606) has the molecular formula C17H14N6S and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
PubChem CID58801606
Molecular FormulaC17H14N6S
Molecular Weight334.41 g/mol
Exact Mass334.10
IUPAC Name4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
SMILESCNc1nc2sc(-c3ccc4[nH]ccc4c3)nc2c2c1ncn2C
InChIInChI=1S/C17H14N6S/c1-18-15-12-14(23(2)8-20-12)13-17(22-15)24-16(21-13)10-3-4-11-9(7-10)5-6-19-11/h3-8,19H,1-2H3,(H,18,22)
InChIKeyZSOGQXCGAJZIGV-UHFFFAOYSA-N
XLogP3.77
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The IUPAC name of 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine (CID 58801606) is 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine.
What is the SMILES notation for 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The canonical SMILES for 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine is CNc1nc2sc(-c3ccc4[nH]ccc4c3)nc2c2c1ncn2C.
What is the InChIKey of 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The InChIKey is ZSOGQXCGAJZIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S/c1-18-15-12-14(23(2)8-20-12)13-17(22-15)24-16(21-13)10-3-4-11-9(7-10)5-6-19-11/h3-8,19H,1-2H3,(H,18,22).
What are the key properties of 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine has a molecular weight of 334.41 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine is sourced from PubChem (CID 58801606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).