N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide

C10H14BrN3OS — CID 106133046

IUPACN-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide
SMILESO=C(NCC1CCCC(Br)C1)c1csnn1
InChIInChI=1S/C10H14BrN3OS/c11-8-3-1-2-7(4-8)5-12-10(15)9-6-16-14-13-9/h6-8H,1-5H2,(H,12,15)
InChIKeyQEJGAMIQGNQLRF-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.22
Rot. Bonds3

About N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide

N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide (PubChem CID 106133046) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide
PubChem CID106133046
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC NameN-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide
SMILESO=C(NCC1CCCC(Br)C1)c1csnn1
InChIInChI=1S/C10H14BrN3OS/c11-8-3-1-2-7(4-8)5-12-10(15)9-6-16-14-13-9/h6-8H,1-5H2,(H,12,15)
InChIKeyQEJGAMIQGNQLRF-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-[(3-bromocyclohexyl)methyl]-3-chlorothiophene-2-carboxamide
CID 106133249
N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide
CID 106133060
N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide
CID 114315970
N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide
CID 106132945
N-[(3-bromocyclohexyl)methyl]-5-nitrothiophene-2-carboxamide
CID 106132688
N-[(3-bromocyclohexyl)methyl]-2-methylsulfanylbenzamide
CID 114147792
N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 106133084
N-[(3-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106133233
N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide
CID 114147724
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide
CID 106133052
3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide
CID 106133086

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide (CID 106133046) is N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide is O=C(NCC1CCCC(Br)C1)c1csnn1.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide?
The InChIKey is QEJGAMIQGNQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c11-8-3-1-2-7(4-8)5-12-10(15)9-6-16-14-13-9/h6-8H,1-5H2,(H,12,15).
What are the key properties of N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide?
N-[(3-bromocyclohexyl)methyl]thiadiazole-4-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-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 106133046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).