N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide

C8H11BrN2OS — CID 114307887

IUPACN-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CBr)NC(=O)c1cscn1
InChIInChI=1S/C8H11BrN2OS/c1-8(2,4-9)11-7(12)6-3-13-5-10-6/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyZDOGJCCAJUFNHG-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.05
Rot. Bonds3

About N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide

N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 114307887) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID114307887
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CBr)NC(=O)c1cscn1
InChIInChI=1S/C8H11BrN2OS/c1-8(2,4-9)11-7(12)6-3-13-5-10-6/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyZDOGJCCAJUFNHG-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 115610740
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900
N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide
CID 75422005
N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110462220
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110471801
N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62046167

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide (CID 114307887) is N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide is CC(C)(CBr)NC(=O)c1cscn1.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZDOGJCCAJUFNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-8(2,4-9)11-7(12)6-3-13-5-10-6/h3,5H,4H2,1-2H3,(H,11,12).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 263.16 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114307887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).