N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide

C30H26F3N5O3S — CID 155705130

IUPACN-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC(CCCCNC(=O)c1ccccc1OC(F)(F)F)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
InChIInChI=1S/C30H26F3N5O3S/c31-30(32,33)41-25-11-4-3-9-22(25)28(39)35-14-6-5-10-23(38-29(40)26-17-34-18-42-26)27-36-16-24(37-27)21-13-12-19-7-1-2-8-20(19)15-21/h1-4,7-9,11-13,15-18,23H,5-6,10,14H2,(H,35,39)(H,36,37)(H,38,40)
InChIKeyXOSRMYNAUMUONH-UHFFFAOYSA-N
MW593.63 g/mol
LogP6.66
Rot. Bonds11

About N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide

N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide (PubChem CID 155705130) has the molecular formula C30H26F3N5O3S and a molecular weight of 593.63 g/mol. Its IUPAC name is N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide
PubChem CID155705130
Molecular FormulaC30H26F3N5O3S
Molecular Weight593.63 g/mol
Exact Mass593.17
IUPAC NameN-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC(CCCCNC(=O)c1ccccc1OC(F)(F)F)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
InChIInChI=1S/C30H26F3N5O3S/c31-30(32,33)41-25-11-4-3-9-22(25)28(39)35-14-6-5-10-23(38-29(40)26-17-34-18-42-26)27-36-16-24(37-27)21-13-12-19-7-1-2-8-20(19)15-21/h1-4,7-9,11-13,15-18,23H,5-6,10,14H2,(H,35,39)(H,36,37)(H,38,40)
InChIKeyXOSRMYNAUMUONH-UHFFFAOYSA-N
XLogP6.66
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.63
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 155169292
N-[(1S)-5-[(2-amino-3-methylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 164787838
N-[(1S)-5-[(2-methylsulfinylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 162657535
N-[(1S)-5-[(2-hydroxy-5-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 162667559
N-[(1S)-7-(2-fluoro-6-methoxyphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164973267
N-[(1S)-7-(2-chlorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164988102
N-[(1S)-7-(5-fluoro-2-sulfanylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164973265
N-[(1S)-7-(2-amino-5-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164995957
N-[(1S)-7-(2,3-dihydro-1H-inden-4-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164988106
N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 144617604
N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 144617633
N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
CID 118453292

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide (CID 155705130) is N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide is O=C(NC(CCCCNC(=O)c1ccccc1OC(F)(F)F)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1.
What is the InChIKey of N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XOSRMYNAUMUONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N5O3S/c31-30(32,33)41-25-11-4-3-9-22(25)28(39)35-14-6-5-10-23(38-29(40)26-17-34-18-42-26)27-36-16-24(37-27)21-13-12-19-7-1-2-8-20(19)15-21/h1-4,7-9,11-13,15-18,23H,5-6,10,14H2,(H,35,39)(H,36,37)(H,38,40).
What are the key properties of N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide?
N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 593.63 g/mol, XLogP of 6.66, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(trifluoromethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155705130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).