N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide

C18H14BrFN2OS — CID 126212480

IUPACN-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide
SMILESCc1s/c(=N\C(=O)c2ccccc2F)n(C)c1-c1ccc(Br)cc1
InChIInChI=1S/C18H14BrFN2OS/c1-11-16(12-7-9-13(19)10-8-12)22(2)18(24-11)21-17(23)14-5-3-4-6-15(14)20/h3-10H,1-2H3/b21-18-
InChIKeySHKGSYQXTVUGOF-UZYVYHOESA-N
MW405.29 g/mol
LogP4.70
Rot. Bonds2

About N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide

N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide (PubChem CID 126212480) has the molecular formula C18H14BrFN2OS and a molecular weight of 405.29 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide
PubChem CID126212480
Molecular FormulaC18H14BrFN2OS
Molecular Weight405.29 g/mol
Exact Mass404.00
IUPAC NameN-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide
SMILESCc1s/c(=N\C(=O)c2ccccc2F)n(C)c1-c1ccc(Br)cc1
InChIInChI=1S/C18H14BrFN2OS/c1-11-16(12-7-9-13(19)10-8-12)22(2)18(24-11)21-17(23)14-5-3-4-6-15(14)20/h3-10H,1-2H3/b21-18-
InChIKeySHKGSYQXTVUGOF-UZYVYHOESA-N
XLogP4.70
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-chloro-4-nitrobenzamide
CID 126202254
2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126204573
N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide
CID 838622
2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151133
2,4-dichloro-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 126209248
N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 1021952
2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-nitrobenzamide
CID 126203831
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 2150973
ethyl 2-[6-bromo-2-(2-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4087161
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701
N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 838621
4-butoxy-N-[4-(4-chlorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 126211698

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide?
The IUPAC name of N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide (CID 126212480) is N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide is Cc1s/c(=N\C(=O)c2ccccc2F)n(C)c1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide?
The InChIKey is SHKGSYQXTVUGOF-UZYVYHOESA-N. The full InChI is InChI=1S/C18H14BrFN2OS/c1-11-16(12-7-9-13(19)10-8-12)22(2)18(24-11)21-17(23)14-5-3-4-6-15(14)20/h3-10H,1-2H3/b21-18-.
What are the key properties of N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide?
N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide has a molecular weight of 405.29 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide is sourced from PubChem (CID 126212480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).