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

C19H15F3N2O3S — CID 31122981

IUPACN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1
InChIInChI=1S/C19H15F3N2O3S/c1-10-16(11-3-6-13(7-4-11)27-18(21)22)23-19(28-10)24-17(25)14-9-12(20)5-8-15(14)26-2/h3-9,18H,1-2H3,(H,23,24,25)
InChIKeyQHNMACLKDPMCCB-UHFFFAOYSA-N
MW408.40 g/mol
LogP5.12
Rot. Bonds6

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

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide (PubChem CID 31122981) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
PubChem CID31122981
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1
InChIInChI=1S/C19H15F3N2O3S/c1-10-16(11-3-6-13(7-4-11)27-18(21)22)23-19(28-10)24-17(25)14-9-12(20)5-8-15(14)26-2/h3-9,18H,1-2H3,(H,23,24,25)
InChIKeyQHNMACLKDPMCCB-UHFFFAOYSA-N
XLogP5.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide (CID 31122981) is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=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]-5-fluoro-2-methoxybenzamide?
The InChIKey is QHNMACLKDPMCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-10-16(11-3-6-13(7-4-11)27-18(21)22)23-19(28-10)24-17(25)14-9-12(20)5-8-15(14)26-2/h3-9,18H,1-2H3,(H,23,24,25).
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide?
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide has a molecular weight of 408.40 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 31122981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).