N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide

C18H14F2N2O2S — CID 42999638

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1OC(F)F
InChIInChI=1S/C18H14F2N2O2S/c19-17(20)24-15-9-5-4-8-14(15)16(23)22-18-21-11-13(25-18)10-12-6-2-1-3-7-12/h1-9,11,17H,10H2,(H,21,22,23)
InChIKeyOJCVAUMFKIHRMG-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.59
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide (PubChem CID 42999638) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide
PubChem CID42999638
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1OC(F)F
InChIInChI=1S/C18H14F2N2O2S/c19-17(20)24-15-9-5-4-8-14(15)16(23)22-18-21-11-13(25-18)10-12-6-2-1-3-7-12/h1-9,11,17H,10H2,(H,21,22,23)
InChIKeyOJCVAUMFKIHRMG-UHFFFAOYSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
CID 4254438
2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4306708
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide
CID 5139165
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
CID 4651810
2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 78843675
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3497765
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
CID 17034116
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
CID 4540201
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 18209053

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide (CID 42999638) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide is O=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1OC(F)F.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide?
The InChIKey is OJCVAUMFKIHRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c19-17(20)24-15-9-5-4-8-14(15)16(23)22-18-21-11-13(25-18)10-12-6-2-1-3-7-12/h1-9,11,17H,10H2,(H,21,22,23).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide has a molecular weight of 360.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 42999638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).