cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C21H20F3N3O2S — CID 134175306

IUPACcyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCOc1cnc2c(-c3nc(C(F)(F)F)c(C(=O)C4CCCCC4)s3)cc(C)cc2n1
InChIInChI=1S/C21H20F3N3O2S/c1-11-8-13(16-14(9-11)26-15(29-2)10-25-16)20-27-19(21(22,23)24)18(30-20)17(28)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyHMNDGNKXHCKSLS-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.85
Rot. Bonds4

About cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 134175306) has the molecular formula C21H20F3N3O2S and a molecular weight of 435.47 g/mol. Its IUPAC name is cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID134175306
Molecular FormulaC21H20F3N3O2S
Molecular Weight435.47 g/mol
Exact Mass435.12
IUPAC Namecyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCOc1cnc2c(-c3nc(C(F)(F)F)c(C(=O)C4CCCCC4)s3)cc(C)cc2n1
InChIInChI=1S/C21H20F3N3O2S/c1-11-8-13(16-14(9-11)26-15(29-2)10-25-16)20-27-19(21(22,23)24)18(30-20)17(28)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyHMNDGNKXHCKSLS-UHFFFAOYSA-N
XLogP5.85
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone 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 cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 134175306) is cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is COc1cnc2c(-c3nc(C(F)(F)F)c(C(=O)C4CCCCC4)s3)cc(C)cc2n1.
What is the InChIKey of cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is HMNDGNKXHCKSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2S/c1-11-8-13(16-14(9-11)26-15(29-2)10-25-16)20-27-19(21(22,23)24)18(30-20)17(28)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 435.47 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 134175306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).