N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide

C23H24F3N3O3S — CID 145488958

IUPACN-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
SMILESO=C(Nc1nc(CCCO)c(CCO)s1)c1ccc(CNc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O3S/c24-23(25,26)17-4-1-2-5-18(17)27-14-15-7-9-16(10-8-15)21(32)29-22-28-19(6-3-12-30)20(33-22)11-13-31/h1-2,4-5,7-10,27,30-31H,3,6,11-14H2,(H,28,29,32)
InChIKeyGQVLIBJWHNDFPR-UHFFFAOYSA-N
MW479.52 g/mol
LogP4.49
Rot. Bonds10

About N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide

N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide (PubChem CID 145488958) has the molecular formula C23H24F3N3O3S and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide.

Molecular Properties

Compound NameN-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
PubChem CID145488958
Molecular FormulaC23H24F3N3O3S
Molecular Weight479.52 g/mol
Exact Mass479.15
IUPAC NameN-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
SMILESO=C(Nc1nc(CCCO)c(CCO)s1)c1ccc(CNc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O3S/c24-23(25,26)17-4-1-2-5-18(17)27-14-15-7-9-16(10-8-15)21(32)29-22-28-19(6-3-12-30)20(33-22)11-13-31/h1-2,4-5,7-10,27,30-31H,3,6,11-14H2,(H,28,29,32)
InChIKeyGQVLIBJWHNDFPR-UHFFFAOYSA-N
XLogP4.49
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[5-[[2-(Trifluoromethyl)anilino]methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 24970324
N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
CID 25121743
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
CID 25121744
N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
CID 25121745
3-[2-[[4-[[2-(Trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazol-4-yl]propanoic acid
CID 25122095
4-[(2-butylanilino)methyl]-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzamide
CID 25122096
N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
CID 25122097
2-[2-[[4-[(2-Phenylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 25122467
5-[(2-hexylanilino)methyl]-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 145485676
N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide
CID 145485790
N-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
CID 145488904
2-[2-[[4-[[2-(3-Methylbutyl)anilino]methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 145488943

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
The IUPAC name of N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide (CID 145488958) is N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide.
What is the SMILES notation for N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
The canonical SMILES for N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide is O=C(Nc1nc(CCCO)c(CCO)s1)c1ccc(CNc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
The InChIKey is GQVLIBJWHNDFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3S/c24-23(25,26)17-4-1-2-5-18(17)27-14-15-7-9-16(10-8-15)21(32)29-22-28-19(6-3-12-30)20(33-22)11-13-31/h1-2,4-5,7-10,27,30-31H,3,6,11-14H2,(H,28,29,32).
What are the key properties of N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide has a molecular weight of 479.52 g/mol, XLogP of 4.49, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxyethyl)-4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide is sourced from PubChem (CID 145488958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).