(8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone

C17H15N3O2S — CID 14067657

IUPAC(8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone
SMILESCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CSCC2
InChIInChI=1S/C17H15N3O2S/c1-22-16-12-10-23-8-7-14(12)20-9-13(18-17(20)19-16)15(21)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3
InChIKeyBNXQTJBITFPOCX-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.76
Rot. Bonds3

About (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone

(8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone (PubChem CID 14067657) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone
PubChem CID14067657
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name(8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone
SMILESCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CSCC2
InChIInChI=1S/C17H15N3O2S/c1-22-16-12-10-23-8-7-14(12)20-9-13(18-17(20)19-16)15(21)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3
InChIKeyBNXQTJBITFPOCX-UHFFFAOYSA-N
XLogP2.76
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone 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

Divaplon
CID 65822
(5-Methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
CID 10402951
(5-Methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055762
(7-Methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301018
(7-Methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301029
(5-Ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301030
(5-Methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
CID 13301031
(7-Methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301034
[6-(Cyclopropylmethyl)-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl]-phenylmethanone
CID 13301037
(5,6-Diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301045
(7-Methoxy-5-methyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301046
(5-Ethyl-7-methoxy-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301147

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone?
The IUPAC name of (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone (CID 14067657) is (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone.
What is the SMILES notation for (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone?
The canonical SMILES for (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone is COc1nc2nc(C(=O)c3ccccc3)cn2c2c1CSCC2.
What is the InChIKey of (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone?
The InChIKey is BNXQTJBITFPOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-16-12-10-23-8-7-14(12)20-9-13(18-17(20)19-16)15(21)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3.
What are the key properties of (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone?
(8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone has a molecular weight of 325.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-11-thia-2,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-yl)-phenylmethanone is sourced from PubChem (CID 14067657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).