N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide

C15H16BrN3O2S — CID 71703340

IUPACN-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2nc(Br)sc2C(C)C)cc1
InChIInChI=1S/C15H16BrN3O2S/c1-8(2)13-12(19-15(16)22-13)14(21)18-11-6-4-10(5-7-11)17-9(3)20/h4-8H,1-3H3,(H,17,20)(H,18,21)
InChIKeyLJXUKTOCHRSNIV-UHFFFAOYSA-N
MW382.28 g/mol
LogP4.24
Rot. Bonds4

About N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 71703340) has the molecular formula C15H16BrN3O2S and a molecular weight of 382.28 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID71703340
Molecular FormulaC15H16BrN3O2S
Molecular Weight382.28 g/mol
Exact Mass381.01
IUPAC NameN-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2nc(Br)sc2C(C)C)cc1
InChIInChI=1S/C15H16BrN3O2S/c1-8(2)13-12(19-15(16)22-13)14(21)18-11-6-4-10(5-7-11)17-9(3)20/h4-8H,1-3H3,(H,17,20)(H,18,21)
InChIKeyLJXUKTOCHRSNIV-UHFFFAOYSA-N
XLogP4.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71710195
2-chloro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71702900
N-(4-acetamidophenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696392
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide
CID 56564996
4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen
CID 144822336
2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 110342389
N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62167079
N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765669
4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560029
N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide
CID 6422905
N-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385267

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 71703340) is N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2nc(Br)sc2C(C)C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LJXUKTOCHRSNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2S/c1-8(2)13-12(19-15(16)22-13)14(21)18-11-6-4-10(5-7-11)17-9(3)20/h4-8H,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 382.28 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71703340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).