N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide

C11H16BrN3OS — CID 80662634

IUPACN-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCCC1Br
InChIInChI=1S/C11H16BrN3OS/c1-2-4-9-10(17-15-14-9)11(16)13-8-6-3-5-7(8)12/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyTYTZHGNBEAELLC-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.54
Rot. Bonds4

About N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide

N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 80662634) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide
PubChem CID80662634
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC NameN-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCCC1Br
InChIInChI=1S/C11H16BrN3OS/c1-2-4-9-10(17-15-14-9)11(16)13-8-6-3-5-7(8)12/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyTYTZHGNBEAELLC-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.54
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

2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 65205201
N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 65205264
N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 80662229
N-(2-aminocyclopentyl)-4-ethylthiadiazole-5-carboxamide
CID 65210234
N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
CID 79110286
cyclobutyl-(4-propylthiadiazol-5-yl)methanone
CID 105133689
3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033078
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535
N-[3-(bromomethyl)pentan-3-yl]-4-propylthiadiazole-5-carboxamide
CID 114315365
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide
CID 91789321

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide (CID 80662634) is N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is TYTZHGNBEAELLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-2-4-9-10(17-15-14-9)11(16)13-8-6-3-5-7(8)12/h7-8H,2-6H2,1H3,(H,13,16).
What are the key properties of N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide?
N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 80662634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).