N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide

C21H20F2N2O4S — CID 60620546

IUPACN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1
InChIInChI=1S/C21H20F2N2O4S/c1-13-19(14-7-9-15(10-8-14)29-20(22)23)25-21(30-13)24-18(26)11-12-28-17-6-4-3-5-16(17)27-2/h3-10,20H,11-12H2,1-2H3,(H,24,25,26)
InChIKeyQHGCSFBYVKHZDF-UHFFFAOYSA-N
MW434.46 g/mol
LogP5.14
Rot. Bonds9

About N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide (PubChem CID 60620546) has the molecular formula C21H20F2N2O4S and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
PubChem CID60620546
Molecular FormulaC21H20F2N2O4S
Molecular Weight434.46 g/mol
Exact Mass434.11
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1
InChIInChI=1S/C21H20F2N2O4S/c1-13-19(14-7-9-15(10-8-14)29-20(22)23)25-21(30-13)24-18(26)11-12-28-17-6-4-3-5-16(17)27-2/h3-10,20H,11-12H2,1-2H3,(H,24,25,26)
InChIKeyQHGCSFBYVKHZDF-UHFFFAOYSA-N
XLogP5.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 112763459
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119693574
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587389
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31122981
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 35540458
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 134029286
2-(2-chlorophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4855744
(4R)-4-hydroxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-phenylbutanamide
CID 126211741
(E)-3-[4-(difluoromethoxy)phenyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 18205332
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 18205401

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide (CID 60620546) is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide is COc1ccccc1OCCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide?
The InChIKey is QHGCSFBYVKHZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O4S/c1-13-19(14-7-9-15(10-8-14)29-20(22)23)25-21(30-13)24-18(26)11-12-28-17-6-4-3-5-16(17)27-2/h3-10,20H,11-12H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide?
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide has a molecular weight of 434.46 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 60620546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).