N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

C11H17BrN2OS — CID 106169527

IUPACN-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)(CCBr)NC(=O)c1scnc1C
InChIInChI=1S/C11H17BrN2OS/c1-4-11(3,5-6-12)14-10(15)9-8(2)13-7-16-9/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyLBRZPQQUDZVQMK-UHFFFAOYSA-N
MW305.24 g/mol
LogP3.14
Rot. Bonds5

About N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 106169527) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID106169527
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)(CCBr)NC(=O)c1scnc1C
InChIInChI=1S/C11H17BrN2OS/c1-4-11(3,5-6-12)14-10(15)9-8(2)13-7-16-9/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyLBRZPQQUDZVQMK-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.14
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-hydroxy-2-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64555805
4-methyl-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
CID 82723283
3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 64673287
N-(1-bromo-3-methylpentan-3-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 106168814
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61119636
N-(2-amino-2-ethylbutyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119639748
5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106169604
4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106168914
N-(1-bromo-3-methylpentan-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 106168958
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
N-(1-bromo-3-methylpentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 114153197

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 106169527) is N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is CCC(C)(CCBr)NC(=O)c1scnc1C.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LBRZPQQUDZVQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-4-11(3,5-6-12)14-10(15)9-8(2)13-7-16-9/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 305.24 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106169527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).