2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one

C23H15ClN4O2S2 — CID 11202412

IUPAC2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
SMILESO=C(c1csc(-c2cccs2)n1)N1CCN2C(=O)c3ccncc3C12c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN4O2S2/c24-15-5-3-14(4-6-15)23-17-12-25-8-7-16(17)21(29)27(23)9-10-28(23)22(30)18-13-32-20(26-18)19-2-1-11-31-19/h1-8,11-13H,9-10H2
InChIKeyLGMFTNMCSDUPMN-UHFFFAOYSA-N
MW478.99 g/mol
LogP4.73
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one

2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one (PubChem CID 11202412) has the molecular formula C23H15ClN4O2S2 and a molecular weight of 478.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
PubChem CID11202412
Molecular FormulaC23H15ClN4O2S2
Molecular Weight478.99 g/mol
Exact Mass478.03
IUPAC Name2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
SMILESO=C(c1csc(-c2cccs2)n1)N1CCN2C(=O)c3ccncc3C12c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN4O2S2/c24-15-5-3-14(4-6-15)23-17-12-25-8-7-16(17)21(29)27(23)9-10-28(23)22(30)18-13-32-20(26-18)19-2-1-11-31-19/h1-8,11-13H,9-10H2
InChIKeyLGMFTNMCSDUPMN-UHFFFAOYSA-N
XLogP4.73
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.99
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one 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 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one (CID 11202412) is 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one is O=C(c1csc(-c2cccs2)n1)N1CCN2C(=O)c3ccncc3C12c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one?
The InChIKey is LGMFTNMCSDUPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O2S2/c24-15-5-3-14(4-6-15)23-17-12-25-8-7-16(17)21(29)27(23)9-10-28(23)22(30)18-13-32-20(26-18)19-2-1-11-31-19/h1-8,11-13H,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one?
2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one has a molecular weight of 478.99 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one is sourced from PubChem (CID 11202412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).