N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide

C10H14BrN3OS — CID 106367062

IUPACN-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1CBr)c1cnns1
InChIInChI=1S/C10H14BrN3OS/c11-5-7-3-1-2-4-8(7)13-10(15)9-6-12-14-16-9/h6-8H,1-5H2,(H,13,15)
InChIKeyOOIFPXACVQZJJE-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.22
Rot. Bonds3

About N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide

N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide (PubChem CID 106367062) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide
PubChem CID106367062
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC NameN-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1CBr)c1cnns1
InChIInChI=1S/C10H14BrN3OS/c11-5-7-3-1-2-4-8(7)13-10(15)9-6-12-14-16-9/h6-8H,1-5H2,(H,13,15)
InChIKeyOOIFPXACVQZJJE-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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-bromocyclohexyl)thiadiazole-5-carboxamide
CID 114312053
N-(2-hydroxycyclohexyl)thiadiazole-5-carboxamide
CID 62358685
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535
N-[2-(bromomethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114179653
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
CID 106367206
N-[2-(bromomethyl)cyclopentyl]-5-cyanopyridine-2-carboxamide
CID 106366366
N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106367227
N-[2-(bromomethyl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106367309
N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide
CID 106366597

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide (CID 106367062) is N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide is O=C(NC1CCCCC1CBr)c1cnns1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide?
The InChIKey is OOIFPXACVQZJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c11-5-7-3-1-2-4-8(7)13-10(15)9-6-12-14-16-9/h6-8H,1-5H2,(H,13,15).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide?
N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 106367062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).