N-(2-bromocyclohexyl)thiadiazole-5-carboxamide

C9H12BrN3OS — CID 114312053

IUPACN-(2-bromocyclohexyl)thiadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1Br)c1cnns1
InChIInChI=1S/C9H12BrN3OS/c10-6-3-1-2-4-7(6)12-9(14)8-5-11-13-15-8/h5-7H,1-4H2,(H,12,14)
InChIKeyJKHAKKDUVSBZFV-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.97
Rot. Bonds2

About N-(2-bromocyclohexyl)thiadiazole-5-carboxamide

N-(2-bromocyclohexyl)thiadiazole-5-carboxamide (PubChem CID 114312053) has the molecular formula C9H12BrN3OS and a molecular weight of 290.19 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)thiadiazole-5-carboxamide
PubChem CID114312053
Molecular FormulaC9H12BrN3OS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC NameN-(2-bromocyclohexyl)thiadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1Br)c1cnns1
InChIInChI=1S/C9H12BrN3OS/c10-6-3-1-2-4-7(6)12-9(14)8-5-11-13-15-8/h5-7H,1-4H2,(H,12,14)
InChIKeyJKHAKKDUVSBZFV-UHFFFAOYSA-N
XLogP1.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.97
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-hydroxycyclohexyl)thiadiazole-5-carboxamide
CID 62358685
N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 106367062
N-(2-bromocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114312122
N-(2-bromocyclohexyl)-2,6-dichlorobenzamide
CID 113275038
N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
CID 47350810
N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]thiadiazole-5-carboxamide
CID 130748133
N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide
CID 114312088
N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide
CID 80662719
N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide
CID 107706124
N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 114312010
N-(2-bromocyclopentyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 80662229
N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 80662634

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromocyclohexyl)thiadiazole-5-carboxamide (CID 114312053) is N-(2-bromocyclohexyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)thiadiazole-5-carboxamide is O=C(NC1CCCCC1Br)c1cnns1.
What is the InChIKey of N-(2-bromocyclohexyl)thiadiazole-5-carboxamide?
The InChIKey is JKHAKKDUVSBZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3OS/c10-6-3-1-2-4-7(6)12-9(14)8-5-11-13-15-8/h5-7H,1-4H2,(H,12,14).
What are the key properties of N-(2-bromocyclohexyl)thiadiazole-5-carboxamide?
N-(2-bromocyclohexyl)thiadiazole-5-carboxamide has a molecular weight of 290.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 114312053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).