N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide

C9H14BrN3OS — CID 106355309

IUPACN-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide
SMILESCC(C)C(CCBr)NC(=O)c1csnn1
InChIInChI=1S/C9H14BrN3OS/c1-6(2)7(3-4-10)11-9(14)8-5-15-13-12-8/h5-7H,3-4H2,1-2H3,(H,11,14)
InChIKeyMPFPYJZJPHYPQD-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.08
Rot. Bonds5

About N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide

N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide (PubChem CID 106355309) has the molecular formula C9H14BrN3OS and a molecular weight of 292.20 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide
PubChem CID106355309
Molecular FormulaC9H14BrN3OS
Molecular Weight292.20 g/mol
Exact Mass291.00
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide
SMILESCC(C)C(CCBr)NC(=O)c1csnn1
InChIInChI=1S/C9H14BrN3OS/c1-6(2)7(3-4-10)11-9(14)8-5-15-13-12-8/h5-7H,3-4H2,1-2H3,(H,11,14)
InChIKeyMPFPYJZJPHYPQD-UHFFFAOYSA-N
XLogP2.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.08
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-cyclohexylthiadiazole-4-carboxamide
CID 274293
N-[4-(2-bromo-2-fluorocyclopropyl)butyl]thiadiazole-4-carboxamide
CID 177901876
N-ethylthiadiazole-4-carboxamide
CID 274291
N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide
CID 136531036
1,2,3-Thiadiazole-4-carboxamide,n-[2-(cyclopentylamino)-2-oxoethyl]-n-(3-methylbutyl)-
CID 3219343
N-(4-methylcyclohexyl)thiadiazole-4-carboxamide
CID 47180328
N-propan-2-ylthiadiazole-4-carboxamide
CID 57732611
N-butylthiadiazole-4-carboxamide
CID 57957601
N-(4-methyl-2-oxopentyl)thiadiazole-4-carboxamide
CID 59531405
N-butylthiadiazole-4-carboxamide;propane
CID 161836508
N-cyclopentylthiadiazole-4-carboxamide
CID 35762577
N-(2-methylpropyl)thiadiazole-4-carboxamide
CID 35763707

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide (CID 106355309) is N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide is CC(C)C(CCBr)NC(=O)c1csnn1.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide?
The InChIKey is MPFPYJZJPHYPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3OS/c1-6(2)7(3-4-10)11-9(14)8-5-15-13-12-8/h5-7H,3-4H2,1-2H3,(H,11,14).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide?
N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 106355309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).