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

C19H13F2N3OS — CID 170195153

IUPACN-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)Nc3c[nH]c4cc(F)c(F)cc34)cs2)c1
InChIInChI=1S/C19H13F2N3OS/c1-10-3-2-4-11(5-10)19-24-17(9-26-19)18(25)23-16-8-22-15-7-14(21)13(20)6-12(15)16/h2-9,22H,1H3,(H,23,25)
InChIKeyVBBKAEVMHVFDJG-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.13
Rot. Bonds3

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

N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 170195153) has the molecular formula C19H13F2N3OS and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID170195153
Molecular FormulaC19H13F2N3OS
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)Nc3c[nH]c4cc(F)c(F)cc34)cs2)c1
InChIInChI=1S/C19H13F2N3OS/c1-10-3-2-4-11(5-10)19-24-17(9-26-19)18(25)23-16-8-22-15-7-14(21)13(20)6-12(15)16/h2-9,22H,1H3,(H,23,25)
InChIKeyVBBKAEVMHVFDJG-UHFFFAOYSA-N
XLogP5.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 162444829
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866958
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
CID 154652719
2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 112795184
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 122243988
2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 83287859
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide (CID 170195153) is N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cccc(-c2nc(C(=O)Nc3c[nH]c4cc(F)c(F)cc34)cs2)c1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VBBKAEVMHVFDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3OS/c1-10-3-2-4-11(5-10)19-24-17(9-26-19)18(25)23-16-8-22-15-7-14(21)13(20)6-12(15)16/h2-9,22H,1H3,(H,23,25).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 5.13, 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-(3-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 170195153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).