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

C16H18BrFN2OS — CID 59865866

IUPAC5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide
SMILESCc1c(C(C)(C)C)s/c(=N/C(=O)c2cc(Br)ccc2F)n1C
InChIInChI=1S/C16H18BrFN2OS/c1-9-13(16(2,3)4)22-15(20(9)5)19-14(21)11-8-10(17)6-7-12(11)18/h6-8H,1-5H3/b19-15+
InChIKeyVALRNAVSFRYHPI-XDJHFCHBSA-N
MW385.30 g/mol
LogP4.34
Rot. Bonds1

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

5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide (PubChem CID 59865866) has the molecular formula C16H18BrFN2OS and a molecular weight of 385.30 g/mol. Its IUPAC name is 5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide
PubChem CID59865866
Molecular FormulaC16H18BrFN2OS
Molecular Weight385.30 g/mol
Exact Mass384.03
IUPAC Name5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide
SMILESCc1c(C(C)(C)C)s/c(=N/C(=O)c2cc(Br)ccc2F)n1C
InChIInChI=1S/C16H18BrFN2OS/c1-9-13(16(2,3)4)22-15(20(9)5)19-14(21)11-8-10(17)6-7-12(11)18/h6-8H,1-5H3/b19-15+
InChIKeyVALRNAVSFRYHPI-XDJHFCHBSA-N
XLogP4.34
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide (CID 59865866) is 5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide is Cc1c(C(C)(C)C)s/c(=N/C(=O)c2cc(Br)ccc2F)n1C.
What is the InChIKey of 5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide?
The InChIKey is VALRNAVSFRYHPI-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H18BrFN2OS/c1-9-13(16(2,3)4)22-15(20(9)5)19-14(21)11-8-10(17)6-7-12(11)18/h6-8H,1-5H3/b19-15+.
What are the key properties of 5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide?
5-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide has a molecular weight of 385.30 g/mol, XLogP of 4.34, 1 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-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-fluorobenzamide is sourced from PubChem (CID 59865866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).