2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C23H20F2N4O2S — CID 58278925

IUPAC2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(N3CCOCC3)cc1C(F)F)C2
InChIInChI=1S/C23H20F2N4O2S/c24-21(25)18-13-15(29-7-9-31-10-8-29)4-5-16(18)19-12-14-2-1-3-17(20(14)27-19)22(30)28-23-26-6-11-32-23/h1-6,11,13,21H,7-10,12H2,(H,26,28,30)
InChIKeyRNWDARKISMTHJH-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.85
Rot. Bonds5

About 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58278925) has the molecular formula C23H20F2N4O2S and a molecular weight of 454.50 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58278925
Molecular FormulaC23H20F2N4O2S
Molecular Weight454.50 g/mol
Exact Mass454.13
IUPAC Name2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(N3CCOCC3)cc1C(F)F)C2
InChIInChI=1S/C23H20F2N4O2S/c24-21(25)18-13-15(29-7-9-31-10-8-29)4-5-16(18)19-12-14-2-1-3-17(20(14)27-19)22(30)28-23-26-6-11-32-23/h1-6,11,13,21H,7-10,12H2,(H,26,28,30)
InChIKeyRNWDARKISMTHJH-UHFFFAOYSA-N
XLogP4.85
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide 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-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58278925) is 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(N3CCOCC3)cc1C(F)F)C2.
What is the InChIKey of 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is RNWDARKISMTHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2S/c24-21(25)18-13-15(29-7-9-31-10-8-29)4-5-16(18)19-12-14-2-1-3-17(20(14)27-19)22(30)28-23-26-6-11-32-23/h1-6,11,13,21H,7-10,12H2,(H,26,28,30).
What are the key properties of 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58278925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).