N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H15BrClN3O2S — CID 24681672

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C19H15BrClN3O2S/c1-11-17(27-19(23-11)12-6-8-13(21)9-7-12)18(26)22-10-16(25)24-15-5-3-2-4-14(15)20/h2-9H,10H2,1H3,(H,22,26)(H,24,25)
InChIKeyURVAQIRFNNSYDF-UHFFFAOYSA-N
MW464.77 g/mol
LogP4.90
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24681672) has the molecular formula C19H15BrClN3O2S and a molecular weight of 464.77 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24681672
Molecular FormulaC19H15BrClN3O2S
Molecular Weight464.77 g/mol
Exact Mass462.98
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C19H15BrClN3O2S/c1-11-17(27-19(23-11)12-6-8-13(21)9-7-12)18(26)22-10-16(25)24-15-5-3-2-4-14(15)20/h2-9H,10H2,1H3,(H,22,26)(H,24,25)
InChIKeyURVAQIRFNNSYDF-UHFFFAOYSA-N
XLogP4.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.77
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24512904
N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30345026
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816
2-(4-chlorophenyl)-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 119432753
2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24948936
2-(4-chlorophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24683000
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46660048
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46481530
3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553417
N-(2-bromo-4-methylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27667984
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24512647

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24681672) is N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is URVAQIRFNNSYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3O2S/c1-11-17(27-19(23-11)12-6-8-13(21)9-7-12)18(26)22-10-16(25)24-15-5-3-2-4-14(15)20/h2-9H,10H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 464.77 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24681672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).