N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide

C18H15BrFN3OS — CID 53152926

IUPACN-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(Nc3cccc(F)c3)nc2C)ccc1Br
InChIInChI=1S/C18H15BrFN3OS/c1-10-8-14(6-7-15(10)19)22-17(24)16-11(2)21-18(25-16)23-13-5-3-4-12(20)9-13/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyHGVPPIIDWRSBKB-UHFFFAOYSA-N
MW420.31 g/mol
LogP5.66
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide

N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53152926) has the molecular formula C18H15BrFN3OS and a molecular weight of 420.31 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53152926
Molecular FormulaC18H15BrFN3OS
Molecular Weight420.31 g/mol
Exact Mass419.01
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(Nc3cccc(F)c3)nc2C)ccc1Br
InChIInChI=1S/C18H15BrFN3OS/c1-10-8-14(6-7-15(10)19)22-17(24)16-11(2)21-18(25-16)23-13-5-3-4-12(20)9-13/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyHGVPPIIDWRSBKB-UHFFFAOYSA-N
XLogP5.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152907
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152885
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
N-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152928
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944585
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
2-(2-ethylanilino)-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845466
2-(4-fluoroanilino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360
2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30142300
2-(4-fluoroanilino)-4-methyl-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30142383
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 53152926) is N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2sc(Nc3cccc(F)c3)nc2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HGVPPIIDWRSBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3OS/c1-10-8-14(6-7-15(10)19)22-17(24)16-11(2)21-18(25-16)23-13-5-3-4-12(20)9-13/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 420.31 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).