N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C18H15FN2OS2 — CID 24630722

IUPACN-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(SCc2cscn2)cc1
InChIInChI=1S/C18H15FN2OS2/c1-12-8-14(19)4-7-17(12)21-18(22)13-2-5-16(6-3-13)24-10-15-9-23-11-20-15/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyFJKHWFMFSWSTQS-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.14
Rot. Bonds5

About N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 24630722) has the molecular formula C18H15FN2OS2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID24630722
Molecular FormulaC18H15FN2OS2
Molecular Weight358.46 g/mol
Exact Mass358.06
IUPAC NameN-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(SCc2cscn2)cc1
InChIInChI=1S/C18H15FN2OS2/c1-12-8-14(19)4-7-17(12)21-18(22)13-2-5-16(6-3-13)24-10-15-9-23-11-20-15/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyFJKHWFMFSWSTQS-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30599996
N-(5-methyl-1,3-thiazol-2-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630692
N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630594
N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55528362
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630862
N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630561
N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630642
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24651533
4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 24630722) is N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is Cc1cc(F)ccc1NC(=O)c1ccc(SCc2cscn2)cc1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is FJKHWFMFSWSTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS2/c1-12-8-14(19)4-7-17(12)21-18(22)13-2-5-16(6-3-13)24-10-15-9-23-11-20-15/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 358.46 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 24630722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).