N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide

C18H13BrF2N2OS — CID 142763515

IUPACN-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)F)c(C(=O)Nc2c(Br)cccc2-c2ccccc2)s1
InChIInChI=1S/C18H13BrF2N2OS/c1-10-22-15(17(20)21)16(25-10)18(24)23-14-12(8-5-9-13(14)19)11-6-3-2-4-7-11/h2-9,17H,1H3,(H,23,24)
InChIKeyNWLBKETUQCTRDY-UHFFFAOYSA-N
MW423.28 g/mol
LogP6.07
Rot. Bonds4

About N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide

N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 142763515) has the molecular formula C18H13BrF2N2OS and a molecular weight of 423.28 g/mol. Its IUPAC name is N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID142763515
Molecular FormulaC18H13BrF2N2OS
Molecular Weight423.28 g/mol
Exact Mass421.99
IUPAC NameN-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)F)c(C(=O)Nc2c(Br)cccc2-c2ccccc2)s1
InChIInChI=1S/C18H13BrF2N2OS/c1-10-22-15(17(20)21)16(25-10)18(24)23-14-12(8-5-9-13(14)19)11-6-3-2-4-7-11/h2-9,17H,1H3,(H,23,24)
InChIKeyNWLBKETUQCTRDY-UHFFFAOYSA-N
XLogP6.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.28
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-2-methylphenyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 59734714
4-(difluoromethyl)-N-[2-(4-ethanimidoylphenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide;prop-2-en-1-ol
CID 142907754
N-[2-[4-[(Z)-cyclopropylmethoxyiminomethyl]phenyl]phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 59339498
2-(3-chloro-4-fluorophenyl)aniline;N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;chloromethane;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride
CID 158216504
4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 68738197
1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 159022323
N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide
CID 122609319
2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 70340712
N-[2-(2-bicyclo[2.2.1]heptanyl)-4-bromophenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 58671524
4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 68716231
N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 47097645
N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 21043952

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 142763515) is N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(F)F)c(C(=O)Nc2c(Br)cccc2-c2ccccc2)s1.
What is the InChIKey of N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NWLBKETUQCTRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF2N2OS/c1-10-22-15(17(20)21)16(25-10)18(24)23-14-12(8-5-9-13(14)19)11-6-3-2-4-7-11/h2-9,17H,1H3,(H,23,24).
What are the key properties of N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 423.28 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142763515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).