N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C16H15BrN4O3S — CID 112795427

IUPACN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1sc(NC(=O)CN2C(=O)CN(C)C2=O)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN4O3S/c1-9-14(10-3-5-11(17)6-4-10)19-15(25-9)18-12(22)7-21-13(23)8-20(2)16(21)24/h3-6H,7-8H2,1-2H3,(H,18,19,22)
InChIKeyONTPEXPJNYCHRW-UHFFFAOYSA-N
MW423.29 g/mol
LogP2.71
Rot. Bonds4

About N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 112795427) has the molecular formula C16H15BrN4O3S and a molecular weight of 423.29 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID112795427
Molecular FormulaC16H15BrN4O3S
Molecular Weight423.29 g/mol
Exact Mass422.00
IUPAC NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1sc(NC(=O)CN2C(=O)CN(C)C2=O)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN4O3S/c1-9-14(10-3-5-11(17)6-4-10)19-15(25-9)18-12(22)7-21-13(23)8-20(2)16(21)24/h3-6H,7-8H2,1-2H3,(H,18,19,22)
InChIKeyONTPEXPJNYCHRW-UHFFFAOYSA-N
XLogP2.71
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
CID 52566928
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039
2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 27990329
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 2640794
4-bromo-N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 2468731
N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155141
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126211187
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17457754
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
CID 19217332
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78867878

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 112795427) is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is Cc1sc(NC(=O)CN2C(=O)CN(C)C2=O)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is ONTPEXPJNYCHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O3S/c1-9-14(10-3-5-11(17)6-4-10)19-15(25-9)18-12(22)7-21-13(23)8-20(2)16(21)24/h3-6H,7-8H2,1-2H3,(H,18,19,22).
What are the key properties of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 423.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 112795427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).