N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide

C18H16BrN3O3S — CID 2941543

IUPACN-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCN(C1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)c1ccc(O)cc1
InChIInChI=1S/C18H16BrN3O3S/c1-22(13-6-8-14(23)9-7-13)18-21-17(25)15(26-18)10-16(24)20-12-4-2-11(19)3-5-12/h2-9,15,23H,10H2,1H3,(H,20,24)
InChIKeyGUVYFAHTUWJAQV-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.62
Rot. Bonds4

About N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide

N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 2941543) has the molecular formula C18H16BrN3O3S and a molecular weight of 434.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID2941543
Molecular FormulaC18H16BrN3O3S
Molecular Weight434.32 g/mol
Exact Mass433.01
IUPAC NameN-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCN(C1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)c1ccc(O)cc1
InChIInChI=1S/C18H16BrN3O3S/c1-22(13-6-8-14(23)9-7-13)18-21-17(25)15(26-18)10-16(24)20-12-4-2-11(19)3-5-12/h2-9,15,23H,10H2,1H3,(H,20,24)
InChIKeyGUVYFAHTUWJAQV-UHFFFAOYSA-N
XLogP3.62
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide (CID 2941543) is N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide is CN(C1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)c1ccc(O)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is GUVYFAHTUWJAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3S/c1-22(13-6-8-14(23)9-7-13)18-21-17(25)15(26-18)10-16(24)20-12-4-2-11(19)3-5-12/h2-9,15,23H,10H2,1H3,(H,20,24).
What are the key properties of N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 434.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 2941543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).