N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide

C11H16BrN3OS — CID 80662229

IUPACN-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC1CCCC1Br
InChIInChI=1S/C11H16BrN3OS/c1-6(2)9-10(17-15-14-9)11(16)13-8-5-3-4-7(8)12/h6-8H,3-5H2,1-2H3,(H,13,16)
InChIKeyXUKMXWVJZQZWTD-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.71
Rot. Bonds3

About N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 80662229) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID80662229
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC NameN-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC1CCCC1Br
InChIInChI=1S/C11H16BrN3OS/c1-6(2)9-10(17-15-14-9)11(16)13-8-5-3-4-7(8)12/h6-8H,3-5H2,1-2H3,(H,13,16)
InChIKeyXUKMXWVJZQZWTD-UHFFFAOYSA-N
XLogP2.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.71
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-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 80662634
N-cyclopropyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204623
cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105125018
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535
N-(2-bromocyclohexyl)thiadiazole-5-carboxamide
CID 114312053
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 113294808
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 107868025
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide
CID 82725593
N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide
CID 81122470
N-(2-aminocyclopentyl)-4-ethylthiadiazole-5-carboxamide
CID 65210234
2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 65205201

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 80662229) is N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is XUKMXWVJZQZWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-6(2)9-10(17-15-14-9)11(16)13-8-5-3-4-7(8)12/h6-8H,3-5H2,1-2H3,(H,13,16).
What are the key properties of N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 80662229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).