N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide

C19H15F2N3O3S — CID 2441454

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1
InChIInChI=1S/C19H15F2N3O3S/c1-11(25)22-14-6-2-12(3-7-14)16-10-28-19(23-16)24-17(26)13-4-8-15(9-5-13)27-18(20)21/h2-10,18H,1H3,(H,22,25)(H,23,24,26)
InChIKeyAXPNPRXWVFYUGR-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.62
Rot. Bonds6

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide (PubChem CID 2441454) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
PubChem CID2441454
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1
InChIInChI=1S/C19H15F2N3O3S/c1-11(25)22-14-6-2-12(3-7-14)16-10-28-19(23-16)24-17(26)13-4-8-15(9-5-13)27-18(20)21/h2-10,18H,1H3,(H,22,25)(H,23,24,26)
InChIKeyAXPNPRXWVFYUGR-UHFFFAOYSA-N
XLogP4.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
4-propan-2-yloxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4118646
3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide
CID 52694784
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-(difluoromethoxy)benzoate
CID 42966355
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 19582579

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide (CID 2441454) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide?
The InChIKey is AXPNPRXWVFYUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c1-11(25)22-14-6-2-12(3-7-14)16-10-28-19(23-16)24-17(26)13-4-8-15(9-5-13)27-18(20)21/h2-10,18H,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide has a molecular weight of 403.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 2441454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).