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

C20H18F2N2O4S — CID 35540458

IUPACN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)c1
InChIInChI=1S/C20H18F2N2O4S/c1-11-17(12-4-6-13(7-5-12)28-19(21)22)23-20(29-11)24-18(25)15-10-14(26-2)8-9-16(15)27-3/h4-10,19H,1-3H3,(H,23,24,25)
InChIKeyKNDMBUYYIYSQMF-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.99
Rot. Bonds7

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

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide (PubChem CID 35540458) has the molecular formula C20H18F2N2O4S and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
PubChem CID35540458
Molecular FormulaC20H18F2N2O4S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)c1
InChIInChI=1S/C20H18F2N2O4S/c1-11-17(12-4-6-13(7-5-12)28-19(21)22)23-20(29-11)24-18(25)15-10-14(26-2)8-9-16(15)27-3/h4-10,19H,1-3H3,(H,23,24,25)
InChIKeyKNDMBUYYIYSQMF-UHFFFAOYSA-N
XLogP4.99
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31122981
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
(E)-3-[4-(difluoromethoxy)phenyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 18205332
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119693574
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1136044
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 60620546
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 48998312
5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 60564511
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 33077128

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide (CID 35540458) is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)c1.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide?
The InChIKey is KNDMBUYYIYSQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4S/c1-11-17(12-4-6-13(7-5-12)28-19(21)22)23-20(29-11)24-18(25)15-10-14(26-2)8-9-16(15)27-3/h4-10,19H,1-3H3,(H,23,24,25).
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide?
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide has a molecular weight of 420.44 g/mol, XLogP of 4.99, 7 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]-2,5-dimethoxybenzamide is sourced from PubChem (CID 35540458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).