N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide

C9H14BrN3OS — CID 107157654

IUPACN-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide
SMILESCC(C)CC(Br)CNC(=O)c1cnns1
InChIInChI=1S/C9H14BrN3OS/c1-6(2)3-7(10)4-11-9(14)8-5-12-13-15-8/h5-7H,3-4H2,1-2H3,(H,11,14)
InChIKeyNLDSCWXWVORWBM-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.08
Rot. Bonds5

About N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide

N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide (PubChem CID 107157654) has the molecular formula C9H14BrN3OS and a molecular weight of 292.20 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide
PubChem CID107157654
Molecular FormulaC9H14BrN3OS
Molecular Weight292.20 g/mol
Exact Mass291.00
IUPAC NameN-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide
SMILESCC(C)CC(Br)CNC(=O)c1cnns1
InChIInChI=1S/C9H14BrN3OS/c1-6(2)3-7(10)4-11-9(14)8-5-12-13-15-8/h5-7H,3-4H2,1-2H3,(H,11,14)
InChIKeyNLDSCWXWVORWBM-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

5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid
CID 65493699
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide
CID 102914845
N-[(2R)-2-(ethylamino)propyl]thiadiazole-5-carboxamide;hydrochloride
CID 120651512
N-(2-aminobutyl)thiadiazole-5-carboxamide
CID 63733239
(2S)-4-methyl-2-[[2-(thiadiazole-5-carbonylamino)acetyl]amino]pentanoic acid
CID 120695799
N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide
CID 62664375
N-(2-bromo-4-methylpentyl)benzamide
CID 107157861
N-(2-methylpropoxy)thiadiazole-5-carboxamide
CID 115410126
N-(2-bromo-4-methylpentyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107157596
N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
CID 106117656
N-(2-bromo-4-methylpentyl)-4-chlorobenzamide
CID 107157900
3-bromo-N-(2-bromo-4-methylpentyl)-4-methylbenzamide
CID 107157706

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide (CID 107157654) is N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide is CC(C)CC(Br)CNC(=O)c1cnns1.
What is the InChIKey of N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide?
The InChIKey is NLDSCWXWVORWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3OS/c1-6(2)3-7(10)4-11-9(14)8-5-12-13-15-8/h5-7H,3-4H2,1-2H3,(H,11,14).
What are the key properties of N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide?
N-(2-bromo-4-methylpentyl)thiadiazole-5-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-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 107157654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).