N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C18H14F2N2O2S2 — CID 24630642

IUPACN-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc(SCc2cscn2)cc1
InChIInChI=1S/C18H14F2N2O2S2/c19-18(20)24-15-5-3-13(4-6-15)22-17(23)12-1-7-16(8-2-12)26-10-14-9-25-11-21-14/h1-9,11,18H,10H2,(H,22,23)
InChIKeyFXIPKEIBFLPPAY-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.29
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 24630642) has the molecular formula C18H14F2N2O2S2 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID24630642
Molecular FormulaC18H14F2N2O2S2
Molecular Weight392.45 g/mol
Exact Mass392.05
IUPAC NameN-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc(SCc2cscn2)cc1
InChIInChI=1S/C18H14F2N2O2S2/c19-18(20)24-15-5-3-13(4-6-15)22-17(23)12-1-7-16(8-2-12)26-10-14-9-25-11-21-14/h1-9,11,18H,10H2,(H,22,23)
InChIKeyFXIPKEIBFLPPAY-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630561
N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630620
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630862
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 30604792
N-(5-methyl-1,3-thiazol-2-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630692
N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630722
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967193
N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30599996
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630594
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 24630642) is N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccc(SCc2cscn2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is FXIPKEIBFLPPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S2/c19-18(20)24-15-5-3-13(4-6-15)22-17(23)12-1-7-16(8-2-12)26-10-14-9-25-11-21-14/h1-9,11,18H,10H2,(H,22,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 392.45 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 24630642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).