N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

C21H18F2N2O3S2 — CID 25284497

IUPACN-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(C(=O)CSc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1
InChIInChI=1S/C21H18F2N2O3S2/c1-28-15-7-5-13(6-8-15)19(26)12-30-21-25-14(11-29-21)9-20(27)24-10-16-17(22)3-2-4-18(16)23/h2-8,11H,9-10,12H2,1H3,(H,24,27)
InChIKeyZFSMFBULEUHDMB-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.26
Rot. Bonds9

About N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 25284497) has the molecular formula C21H18F2N2O3S2 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
PubChem CID25284497
Molecular FormulaC21H18F2N2O3S2
Molecular Weight448.52 g/mol
Exact Mass448.07
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(C(=O)CSc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1
InChIInChI=1S/C21H18F2N2O3S2/c1-28-15-7-5-13(6-8-15)19(26)12-30-21-25-14(11-29-21)9-20(27)24-10-16-17(22)3-2-4-18(16)23/h2-8,11H,9-10,12H2,1H3,(H,24,27)
InChIKeyZFSMFBULEUHDMB-UHFFFAOYSA-N
XLogP4.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 25284497) is N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is COc1ccc(C(=O)CSc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The InChIKey is ZFSMFBULEUHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S2/c1-28-15-7-5-13(6-8-15)19(26)12-30-21-25-14(11-29-21)9-20(27)24-10-16-17(22)3-2-4-18(16)23/h2-8,11H,9-10,12H2,1H3,(H,24,27).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 25284497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).