N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide

C10H14BrN3OS — CID 106366535

IUPACN-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C10H14BrN3OS/c1-6-9(16-14-13-6)10(15)12-8-4-2-3-7(8)5-11/h7-8H,2-5H2,1H3,(H,12,15)
InChIKeyHQKYMBSOXBWANT-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.14
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide

N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 106366535) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
PubChem CID106366535
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C10H14BrN3OS/c1-6-9(16-14-13-6)10(15)12-8-4-2-3-7(8)5-11/h7-8H,2-5H2,1H3,(H,12,15)
InChIKeyHQKYMBSOXBWANT-UHFFFAOYSA-N
XLogP2.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.14
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-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide
CID 63258149
N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide
CID 114301139
N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
CID 106366310
N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 106367062
4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide
CID 114179382
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
CID 106366208
N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 80662634
N-(2-aminocyclopentyl)-4-ethylthiadiazole-5-carboxamide
CID 65210234
N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide
CID 106366441
N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106367227
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106366475

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide (CID 106366535) is N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is HQKYMBSOXBWANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c1-6-9(16-14-13-6)10(15)12-8-4-2-3-7(8)5-11/h7-8H,2-5H2,1H3,(H,12,15).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide?
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 106366535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).