5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide

C17H20BrFN2OS — CID 59866154

IUPAC5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide
SMILESCCn1c(C)c(C(C)(C)C)s/c1=N/C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C17H20BrFN2OS/c1-6-21-10(2)14(17(3,4)5)23-16(21)20-15(22)12-9-11(18)7-8-13(12)19/h7-9H,6H2,1-5H3/b20-16+
InChIKeyLYGHLSRBBMENKZ-CAPFRKAQSA-N
MW399.33 g/mol
LogP4.82
Rot. Bonds2

About 5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide

5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide (PubChem CID 59866154) has the molecular formula C17H20BrFN2OS and a molecular weight of 399.33 g/mol. Its IUPAC name is 5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide
PubChem CID59866154
Molecular FormulaC17H20BrFN2OS
Molecular Weight399.33 g/mol
Exact Mass398.05
IUPAC Name5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide
SMILESCCn1c(C)c(C(C)(C)C)s/c1=N/C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C17H20BrFN2OS/c1-6-21-10(2)14(17(3,4)5)23-16(21)20-15(22)12-9-11(18)7-8-13(12)19/h7-9H,6H2,1-5H3/b20-16+
InChIKeyLYGHLSRBBMENKZ-CAPFRKAQSA-N
XLogP4.82
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-fluoro-5-iodobenzamide
CID 59866108
N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,4-dichloro-5-fluorobenzamide
CID 59865846
N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide
CID 68623803
ethyl 2-[6-bromo-2-(2-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4087161
N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide
CID 68623178
N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 40885354
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide
CID 59865959
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)-2-ethylbutan-1-one
CID 116603875
1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one
CID 126982063
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 3407742
2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047904

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide (CID 59866154) is 5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide is CCn1c(C)c(C(C)(C)C)s/c1=N/C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide?
The InChIKey is LYGHLSRBBMENKZ-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H20BrFN2OS/c1-6-21-10(2)14(17(3,4)5)23-16(21)20-15(22)12-9-11(18)7-8-13(12)19/h7-9H,6H2,1-5H3/b20-16+.
What are the key properties of 5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide?
5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide has a molecular weight of 399.33 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-tert-butyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide is sourced from PubChem (CID 59866154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).