2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide

C23H21F3N4O4S — CID 142796000

IUPAC2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(-c2cccc(-c3ccc(OC(F)(F)F)c(NC(=O)CN4CCOCC4)c3)c2)s1
InChIInChI=1S/C23H21F3N4O4S/c24-23(25,26)34-18-5-4-15(11-17(18)29-20(31)13-30-6-8-33-9-7-30)14-2-1-3-16(10-14)22-28-12-19(35-22)21(27)32/h1-5,10-12H,6-9,13H2,(H2,27,32)(H,29,31)
InChIKeyKNWAERFCFGCKFN-UHFFFAOYSA-N
MW506.51 g/mol
LogP3.75
Rot. Bonds7

About 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide

2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 142796000) has the molecular formula C23H21F3N4O4S and a molecular weight of 506.51 g/mol. Its IUPAC name is 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID142796000
Molecular FormulaC23H21F3N4O4S
Molecular Weight506.51 g/mol
Exact Mass506.12
IUPAC Name2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(-c2cccc(-c3ccc(OC(F)(F)F)c(NC(=O)CN4CCOCC4)c3)c2)s1
InChIInChI=1S/C23H21F3N4O4S/c24-23(25,26)34-18-5-4-15(11-17(18)29-20(31)13-30-6-8-33-9-7-30)14-2-1-3-16(10-14)22-28-12-19(35-22)21(27)32/h1-5,10-12H,6-9,13H2,(H2,27,32)(H,29,31)
InChIKeyKNWAERFCFGCKFN-UHFFFAOYSA-N
XLogP3.75
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide 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

2-morpholin-4-yl-N-[5-[2-(4-pyrimidin-5-ylphenyl)acetyl]-2-(trifluoromethoxy)phenyl]acetamide
CID 160927857
3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 118385736
N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385301
N-[5-[2-[5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 159006291
N-[5-[2-[5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 158091741
N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 90462215
[N'-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzoyl]carbamimidoyl] 2-methyl-1,3-thiazole-5-carboximidothioate
CID 144923558
N-[6-(2-aminopyrimidin-5-yl)pyridazin-3-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385317
N-[5-(5-methyl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118392601
3-[(2-morpholin-4-ylacetyl)amino]-N-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 122500892
N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 160817530
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-(trifluoromethoxy)benzamide
CID 90462425

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide (CID 142796000) is 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(-c2cccc(-c3ccc(OC(F)(F)F)c(NC(=O)CN4CCOCC4)c3)c2)s1.
What is the InChIKey of 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KNWAERFCFGCKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4S/c24-23(25,26)34-18-5-4-15(11-17(18)29-20(31)13-30-6-8-33-9-7-30)14-2-1-3-16(10-14)22-28-12-19(35-22)21(27)32/h1-5,10-12H,6-9,13H2,(H2,27,32)(H,29,31).
What are the key properties of 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 506.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142796000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).