N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide

C19H18BrN3O2S — CID 11989668

IUPACN-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(Br)cc2)s1
InChIInChI=1S/C19H18BrN3O2S/c1-12-17(18(24)21-11-13-7-9-14(20)10-8-13)26-19(22-12)23-15-5-3-4-6-16(15)25-2/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJOYKTDUVHYTBJZ-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.90
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide

N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 11989668) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID11989668
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC NameN-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(Br)cc2)s1
InChIInChI=1S/C19H18BrN3O2S/c1-12-17(18(24)21-11-13-7-9-14(20)10-8-13)26-19(22-12)23-15-5-3-4-6-16(15)25-2/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJOYKTDUVHYTBJZ-UHFFFAOYSA-N
XLogP4.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458
2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 11989670
2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 59729242
2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365490
2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide
CID 11989886
2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylic acid;N-[(2-methylphenyl)methyl]thiohydroxylamine
CID 87748302
N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897958
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
2-(4-bromoanilino)-N-[(3,5-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 24821892

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 11989668) is N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(Br)cc2)s1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JOYKTDUVHYTBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c1-12-17(18(24)21-11-13-7-9-14(20)10-8-13)26-19(22-12)23-15-5-3-4-6-16(15)25-2/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 432.34 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11989668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).