3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide

C18H13ClF2N2O3S — CID 66575000

IUPAC3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OC(CO)c2nc(-c3ccc(Cl)cc3)cs2)c1F
InChIInChI=1S/C18H13ClF2N2O3S/c19-10-3-1-9(2-4-10)12-8-27-18(23-12)14(7-24)26-13-6-5-11(20)15(16(13)21)17(22)25/h1-6,8,14,24H,7H2,(H2,22,25)
InChIKeyGGNRNIGEFCQNRO-UHFFFAOYSA-N
MW410.83 g/mol
LogP3.95
Rot. Bonds6

About 3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide

3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide (PubChem CID 66575000) has the molecular formula C18H13ClF2N2O3S and a molecular weight of 410.83 g/mol. Its IUPAC name is 3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
PubChem CID66575000
Molecular FormulaC18H13ClF2N2O3S
Molecular Weight410.83 g/mol
Exact Mass410.03
IUPAC Name3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OC(CO)c2nc(-c3ccc(Cl)cc3)cs2)c1F
InChIInChI=1S/C18H13ClF2N2O3S/c19-10-3-1-9(2-4-10)12-8-27-18(23-12)14(7-24)26-13-6-5-11(20)15(16(13)21)17(22)25/h1-6,8,14,24H,7H2,(H2,22,25)
InChIKeyGGNRNIGEFCQNRO-UHFFFAOYSA-N
XLogP3.95
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[5-bromo-4-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
CID 70979844
3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 130301521
3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide
CID 123217618
3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methoxyethoxy]-2,6-difluorobenzamide
CID 90152215
[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
CID 158621376
2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402771
ethyl 2-bromo-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetate
CID 86718617
3-[1-[5-bromo-4-(4-chlorophenyl)-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide
CID 66574901
3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide
CID 59549533
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
3-[1-[5-bromo-4-(2-methoxypyrimidin-5-yl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
CID 70980489
[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] carbamate
CID 66574653

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide (CID 66575000) is 3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(OC(CO)c2nc(-c3ccc(Cl)cc3)cs2)c1F.
What is the InChIKey of 3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?
The InChIKey is GGNRNIGEFCQNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O3S/c19-10-3-1-9(2-4-10)12-8-27-18(23-12)14(7-24)26-13-6-5-11(20)15(16(13)21)17(22)25/h1-6,8,14,24H,7H2,(H2,22,25).
What are the key properties of 3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?
3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide has a molecular weight of 410.83 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 66575000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).