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

C21H18F4N2O4S — CID 45272620

IUPACN-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(C(F)(F)F)c3)s2)cc1OCCO
InChIInChI=1S/C21H18F4N2O4S/c1-30-17-5-3-13(10-18(17)31-7-6-28)19(29)27-20-26-11-14(32-20)8-12-2-4-16(22)15(9-12)21(23,24)25/h2-5,9-11,28H,6-8H2,1H3,(H,26,27,29)
InChIKeyNGSCVSATAUBCPA-UHFFFAOYSA-N
MW470.44 g/mol
LogP4.52
Rot. Bonds8

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

N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide (PubChem CID 45272620) has the molecular formula C21H18F4N2O4S and a molecular weight of 470.44 g/mol. Its IUPAC name is N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
PubChem CID45272620
Molecular FormulaC21H18F4N2O4S
Molecular Weight470.44 g/mol
Exact Mass470.09
IUPAC NameN-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(C(F)(F)F)c3)s2)cc1OCCO
InChIInChI=1S/C21H18F4N2O4S/c1-30-17-5-3-13(10-18(17)31-7-6-28)19(29)27-20-26-11-14(32-20)8-12-2-4-16(22)15(9-12)21(23,24)25/h2-5,9-11,28H,6-8H2,1H3,(H,26,27,29)
InChIKeyNGSCVSATAUBCPA-UHFFFAOYSA-N
XLogP4.52
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide with MolForge

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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
3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45270685
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-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
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 44250031

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The IUPAC name of N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide (CID 45272620) is N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The canonical SMILES for N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(C(F)(F)F)c3)s2)cc1OCCO.
What is the InChIKey of N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The InChIKey is NGSCVSATAUBCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N2O4S/c1-30-17-5-3-13(10-18(17)31-7-6-28)19(29)27-20-26-11-14(32-20)8-12-2-4-16(22)15(9-12)21(23,24)25/h2-5,9-11,28H,6-8H2,1H3,(H,26,27,29).
What are the key properties of N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide has a molecular weight of 470.44 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide is sourced from PubChem (CID 45272620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).