N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide

C18H12F4N2OS — CID 4637733

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)cc1
InChIInChI=1S/C18H12F4N2OS/c1-2-9-3-5-10(6-4-9)13-8-26-18(23-13)24-17(25)11-7-12(19)15(21)16(22)14(11)20/h3-8H,2H2,1H3,(H,23,24,25)
InChIKeyGSGPIAAWCJRNBJ-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.18
Rot. Bonds4

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 4637733) has the molecular formula C18H12F4N2OS and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
PubChem CID4637733
Molecular FormulaC18H12F4N2OS
Molecular Weight380.37 g/mol
Exact Mass380.06
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)cc1
InChIInChI=1S/C18H12F4N2OS/c1-2-9-3-5-10(6-4-9)13-8-26-18(23-13)24-17(25)11-7-12(19)15(21)16(22)14(11)20/h3-8H,2H2,1H3,(H,23,24,25)
InChIKeyGSGPIAAWCJRNBJ-UHFFFAOYSA-N
XLogP5.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550455
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 52733543
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 3257856
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
4-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 3407605
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 52636195
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
5-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2520885
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17493085

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide (CID 4637733) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide is CCc1ccc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is GSGPIAAWCJRNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2OS/c1-2-9-3-5-10(6-4-9)13-8-26-18(23-13)24-17(25)11-7-12(19)15(21)16(22)14(11)20/h3-8H,2H2,1H3,(H,23,24,25).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide has a molecular weight of 380.37 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 4637733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).