N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C20H18F2N2O4S — CID 86967193

IUPACN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NCC(O)c1ccc(OC(F)F)cc1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C20H18F2N2O4S/c21-20(22)28-17-7-1-13(2-8-17)18(25)9-23-19(26)14-3-5-16(6-4-14)27-10-15-11-29-12-24-15/h1-8,11-12,18,20,25H,9-10H2,(H,23,26)
InChIKeyRJGUAZDTWAOZSS-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.79
Rot. Bonds9

About N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 86967193) has the molecular formula C20H18F2N2O4S and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID86967193
Molecular FormulaC20H18F2N2O4S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NCC(O)c1ccc(OC(F)F)cc1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C20H18F2N2O4S/c21-20(22)28-17-7-1-13(2-8-17)18(25)9-23-19(26)14-3-5-16(6-4-14)27-10-15-11-29-12-24-15/h1-8,11-12,18,20,25H,9-10H2,(H,23,26)
InChIKeyRJGUAZDTWAOZSS-UHFFFAOYSA-N
XLogP3.79
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967198
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
CID 111424671
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
CID 43504474
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111422693
N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630642
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
CID 111424679
4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18277019
N-[2-(3-fluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24550705
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide
CID 95771032
N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 111477987
N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26812896

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 86967193) is N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(NCC(O)c1ccc(OC(F)F)cc1)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is RJGUAZDTWAOZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4S/c21-20(22)28-17-7-1-13(2-8-17)18(25)9-23-19(26)14-3-5-16(6-4-14)27-10-15-11-29-12-24-15/h1-8,11-12,18,20,25H,9-10H2,(H,23,26).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 420.44 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 86967193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).