ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C27H33F3N4O3S3 — CID 143433631

About ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 143433631) has the molecular formula C27H33F3N4O3S3 and a molecular weight of 614.78 g/mol. Its IUPAC name is ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
• PubChem CID: 143433631
• Molecular Formula: C27H33F3N4O3S3
• Molecular Weight: 614.78 g/mol
• Exact Mass: 614.17
• IUPAC Name: ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
• SMILES: CC.CC.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1
• InChI: InChI=1S/C23H21F3N4O3S3.2C2H6/c1-13(2)20-28-29-22(35-20)30-36(31,32)18-10-8-17(9-11-18)33-12-19-14(3)27-21(34-19)15-4-6-16(7-5-15)23(24,25)26;2*1-2/h4-11,13H,12H2,1-3H3,(H,29,30);2*1-2H3
• InChIKey: JVARGKBEOWWWSG-UHFFFAOYSA-N
• XLogP: 8.54
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.78
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?

The IUPAC name of ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 143433631) is ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?

The canonical SMILES for ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CC.CC.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1.

What is the InChIKey of ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?

The InChIKey is JVARGKBEOWWWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3S3.2C2H6/c1-13(2)20-28-29-22(35-20)30-36(31,32)18-10-8-17(9-11-18)33-12-19-14(3)27-21(34-19)15-4-6-16(7-5-15)23(24,25)26;2*1-2/h4-11,13H,12H2,1-3H3,(H,29,30);2*1-2H3.

What are the key properties of ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?

ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 614.78 g/mol, XLogP of 8.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 143433631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).