N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide

C18H11F2N3OS — CID 162444829

IUPACN-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H11F2N3OS/c19-12-6-11-14(7-13(12)20)21-8-15(11)22-17(24)16-9-25-18(23-16)10-4-2-1-3-5-10/h1-9,21H,(H,22,24)
InChIKeyWRGXWXQFWPGOFF-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.82
Rot. Bonds3

About N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 162444829) has the molecular formula C18H11F2N3OS and a molecular weight of 355.37 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID162444829
Molecular FormulaC18H11F2N3OS
Molecular Weight355.37 g/mol
Exact Mass355.06
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H11F2N3OS/c19-12-6-11-14(7-13(12)20)21-8-15(11)22-17(24)16-9-25-18(23-16)10-4-2-1-3-5-10/h1-9,21H,(H,22,24)
InChIKeyWRGXWXQFWPGOFF-UHFFFAOYSA-N
XLogP4.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 170195153
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 122243988
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-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
CID 154652719
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55671995
4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 67343096
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 162444829) is N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is WRGXWXQFWPGOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3OS/c19-12-6-11-14(7-13(12)20)21-8-15(11)22-17(24)16-9-25-18(23-16)10-4-2-1-3-5-10/h1-9,21H,(H,22,24).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 162444829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).