N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

C20H18F2N2O3S — CID 18291509

IUPACN-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)Nc3ccccc3OC(F)F)s2)cc1
InChIInChI=1S/C20H18F2N2O3S/c1-12-7-9-14(10-8-12)26-11-17-23-13(2)18(28-17)19(25)24-15-5-3-4-6-16(15)27-20(21)22/h3-10,20H,11H2,1-2H3,(H,24,25)
InChIKeyXOBRTLSXBIPCDA-UHFFFAOYSA-N
MW404.44 g/mol
LogP5.19
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 18291509) has the molecular formula C20H18F2N2O3S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
PubChem CID18291509
Molecular FormulaC20H18F2N2O3S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)Nc3ccccc3OC(F)F)s2)cc1
InChIInChI=1S/C20H18F2N2O3S/c1-12-7-9-14(10-8-12)26-11-17-23-13(2)18(28-17)19(25)24-15-5-3-4-6-16(15)27-20(21)22/h3-10,20H,11H2,1-2H3,(H,24,25)
InChIKeyXOBRTLSXBIPCDA-UHFFFAOYSA-N
XLogP5.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (CID 18291509) is N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccccc3OC(F)F)s2)cc1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XOBRTLSXBIPCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3S/c1-12-7-9-14(10-8-12)26-11-17-23-13(2)18(28-17)19(25)24-15-5-3-4-6-16(15)27-20(21)22/h3-10,20H,11H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18291509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).