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

C19H16F2N2O4S — CID 19582579

IUPACN-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1OC
InChIInChI=1S/C19H16F2N2O4S/c1-25-15-5-3-4-13(16(15)26-2)17(24)23-19-22-14(10-28-19)11-6-8-12(9-7-11)27-18(20)21/h3-10,18H,1-2H3,(H,22,23,24)
InChIKeyPOZAWAKHRPFWHQ-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.68
Rot. Bonds7

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

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide (PubChem CID 19582579) has the molecular formula C19H16F2N2O4S and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
PubChem CID19582579
Molecular FormulaC19H16F2N2O4S
Molecular Weight406.41 g/mol
Exact Mass406.08
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1OC
InChIInChI=1S/C19H16F2N2O4S/c1-25-15-5-3-4-13(16(15)26-2)17(24)23-19-22-14(10-28-19)11-6-8-12(9-7-11)27-18(20)21/h3-10,18H,1-2H3,(H,22,23,24)
InChIKeyPOZAWAKHRPFWHQ-UHFFFAOYSA-N
XLogP4.68
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55341280
2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581346
methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate
CID 7532996
2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 51158639
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87380445
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
CID 2441454
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 8702490
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide (CID 19582579) is N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1OC.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide?
The InChIKey is POZAWAKHRPFWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4S/c1-25-15-5-3-4-13(16(15)26-2)17(24)23-19-22-14(10-28-19)11-6-8-12(9-7-11)27-18(20)21/h3-10,18H,1-2H3,(H,22,23,24).
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide?
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide has a molecular weight of 406.41 g/mol, XLogP of 4.68, 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]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 19582579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).