N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide

C18H15FN4O3S2 — CID 122243988

IUPACN-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN1c2cc(F)c(NC(=O)c3csc(-c4ccccc4)n3)cc2N(C)S1(=O)=O
InChIInChI=1S/C18H15FN4O3S2/c1-22-15-8-12(19)13(9-16(15)23(2)28(22,25)26)20-17(24)14-10-27-18(21-14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,24)
InChIKeyWPXWDEXOBJURPA-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.33
Rot. Bonds3

About N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 122243988) has the molecular formula C18H15FN4O3S2 and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID122243988
Molecular FormulaC18H15FN4O3S2
Molecular Weight418.48 g/mol
Exact Mass418.06
IUPAC NameN-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN1c2cc(F)c(NC(=O)c3csc(-c4ccccc4)n3)cc2N(C)S1(=O)=O
InChIInChI=1S/C18H15FN4O3S2/c1-22-15-8-12(19)13(9-16(15)23(2)28(22,25)26)20-17(24)14-10-27-18(21-14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,24)
InChIKeyWPXWDEXOBJURPA-UHFFFAOYSA-N
XLogP3.33
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide
CID 122244007
N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 162444829
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55671995
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110650067
2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 112795184
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 122243988) is N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide is CN1c2cc(F)c(NC(=O)c3csc(-c4ccccc4)n3)cc2N(C)S1(=O)=O.
What is the InChIKey of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is WPXWDEXOBJURPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S2/c1-22-15-8-12(19)13(9-16(15)23(2)28(22,25)26)20-17(24)14-10-27-18(21-14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,24).
What are the key properties of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122243988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).