N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide

C19H18BrN3O2S — CID 16954943

IUPACN-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)Nc3ccc(Br)c(C)c3)cs2)cc1
InChIInChI=1S/C19H18BrN3O2S/c1-3-25-15-7-4-13(5-8-15)22-19-23-17(11-26-19)18(24)21-14-6-9-16(20)12(2)10-14/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUMLFCYMTVIRLQS-UHFFFAOYSA-N
MW432.34 g/mol
LogP5.61
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide

N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16954943) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16954943
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)Nc3ccc(Br)c(C)c3)cs2)cc1
InChIInChI=1S/C19H18BrN3O2S/c1-3-25-15-7-4-13(5-8-15)22-19-23-17(11-26-19)18(24)21-14-6-9-16(20)12(2)10-14/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUMLFCYMTVIRLQS-UHFFFAOYSA-N
XLogP5.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.34
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954928
2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16954889
N-(4-bromo-3-methylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506028
N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
2-(4-ethoxyanilino)-N-(2-methoxy-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16954960
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16914994
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954939
N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 108514525
N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915145
2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16954861
6-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100441

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16954943) is N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide is CCOc1ccc(Nc2nc(C(=O)Nc3ccc(Br)c(C)c3)cs2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is UMLFCYMTVIRLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c1-3-25-15-7-4-13(5-8-15)22-19-23-17(11-26-19)18(24)21-14-6-9-16(20)12(2)10-14/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 432.34 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16954943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).