3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

C23H23F3N2O5S — CID 45270685

IUPAC3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO
InChIInChI=1S/C23H23F3N2O5S/c1-31-9-10-33-19-6-5-16(13-20(19)32-8-7-29)21(30)28-22-27-14-18(34-22)12-15-3-2-4-17(11-15)23(24,25)26/h2-6,11,13-14,29H,7-10,12H2,1H3,(H,27,28,30)
InChIKeyZZAPJOCTVLDGNQ-UHFFFAOYSA-N
MW496.51 g/mol
LogP4.40
Rot. Bonds11

About 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 45270685) has the molecular formula C23H23F3N2O5S and a molecular weight of 496.51 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID45270685
Molecular FormulaC23H23F3N2O5S
Molecular Weight496.51 g/mol
Exact Mass496.13
IUPAC Name3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO
InChIInChI=1S/C23H23F3N2O5S/c1-31-9-10-33-19-6-5-16(13-20(19)32-8-7-29)21(30)28-22-27-14-18(34-22)12-15-3-2-4-17(11-15)23(24,25)26/h2-6,11,13-14,29H,7-10,12H2,1H3,(H,27,28,30)
InChIKeyZZAPJOCTVLDGNQ-UHFFFAOYSA-N
XLogP4.40
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(4-Methoxyphenyl)carbonylamino]-1,3-Thiazol-5-Yl]benzoic Acid
CID 57342036
4-(ethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 25115386
N-(5-(3-chloro-4-fluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 44602491
N-(5-(3-chlorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45269205
N-(5-(3,4-dichlorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45270080
N-(5-(3,5-difluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45270906
N-(5-(3,5-dichlorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45271744
N-(5-(3,5-bis(trifluoromethyl)benzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272403
N-(5-(4-fluoro-3-(trifluoromethyl)benzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272620
N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4527908
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8195301
4-(diethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 25099088

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 45270685) is 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is COCCOc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO.
What is the InChIKey of 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZZAPJOCTVLDGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O5S/c1-31-9-10-33-19-6-5-16(13-20(19)32-8-7-29)21(30)28-22-27-14-18(34-22)12-15-3-2-4-17(11-15)23(24,25)26/h2-6,11,13-14,29H,7-10,12H2,1H3,(H,27,28,30).
What are the key properties of 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 496.51 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 45270685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).