N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide

C10H16BrN3OS — CID 107156631

IUPACN-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide
SMILESCC(C)(C)CC(Br)CNC(=O)c1csnn1
InChIInChI=1S/C10H16BrN3OS/c1-10(2,3)4-7(11)5-12-9(15)8-6-16-14-13-8/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeyLHENQJPWRJIZQW-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.47
Rot. Bonds4

About N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide

N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide (PubChem CID 107156631) has the molecular formula C10H16BrN3OS and a molecular weight of 306.23 g/mol. Its IUPAC name is N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide
PubChem CID107156631
Molecular FormulaC10H16BrN3OS
Molecular Weight306.23 g/mol
Exact Mass305.02
IUPAC NameN-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide
SMILESCC(C)(C)CC(Br)CNC(=O)c1csnn1
InChIInChI=1S/C10H16BrN3OS/c1-10(2,3)4-7(11)5-12-9(15)8-6-16-14-13-8/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeyLHENQJPWRJIZQW-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-4-carboxamide
CID 102914856
N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide
CID 114315970
N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 107156721
N-(2-bromo-4,4-dimethylpentyl)-4-ethylthiadiazole-5-carboxamide
CID 107156459
2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid
CID 66174400
N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide
CID 111485978
N-(2-bromo-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107729126
N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
CID 107156617
N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 107156403
N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide
CID 82993492
2-bromo-N-(2-bromo-4,4-dimethylpentyl)-3-methylbenzamide
CID 107984077
N-(2-bromo-4,4-dimethylpentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107156647

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide (CID 107156631) is N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide is CC(C)(C)CC(Br)CNC(=O)c1csnn1.
What is the InChIKey of N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide?
The InChIKey is LHENQJPWRJIZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3OS/c1-10(2,3)4-7(11)5-12-9(15)8-6-16-14-13-8/h6-7H,4-5H2,1-3H3,(H,12,15).
What are the key properties of N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide?
N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide has a molecular weight of 306.23 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 107156631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).