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

C16H18ClFN2OS — CID 59865800

IUPACN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide
SMILESCc1c(C(C)(C)C)s/c(=N/C(=O)c2cccc(Cl)c2F)n1C
InChIInChI=1S/C16H18ClFN2OS/c1-9-13(16(2,3)4)22-15(20(9)5)19-14(21)10-7-6-8-11(17)12(10)18/h6-8H,1-5H3/b19-15+
InChIKeyDPKXGRXRGWCZKJ-XDJHFCHBSA-N
MW340.85 g/mol
LogP4.23
Rot. Bonds1

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

N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide (PubChem CID 59865800) has the molecular formula C16H18ClFN2OS and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide
PubChem CID59865800
Molecular FormulaC16H18ClFN2OS
Molecular Weight340.85 g/mol
Exact Mass340.08
IUPAC NameN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide
SMILESCc1c(C(C)(C)C)s/c(=N/C(=O)c2cccc(Cl)c2F)n1C
InChIInChI=1S/C16H18ClFN2OS/c1-9-13(16(2,3)4)22-15(20(9)5)19-14(21)10-7-6-8-11(17)12(10)18/h6-8H,1-5H3/b19-15+
InChIKeyDPKXGRXRGWCZKJ-XDJHFCHBSA-N
XLogP4.23
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide?
The IUPAC name of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide (CID 59865800) is N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide is Cc1c(C(C)(C)C)s/c(=N/C(=O)c2cccc(Cl)c2F)n1C.
What is the InChIKey of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide?
The InChIKey is DPKXGRXRGWCZKJ-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H18ClFN2OS/c1-9-13(16(2,3)4)22-15(20(9)5)19-14(21)10-7-6-8-11(17)12(10)18/h6-8H,1-5H3/b19-15+.
What are the key properties of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide?
N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide has a molecular weight of 340.85 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 59865800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).