N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine

C12H18BrN3S — CID 102637636

IUPACN-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C2CC2)ns1)C1CCCCC1Br
InChIInChI=1S/C12H18BrN3S/c1-16(10-5-3-2-4-9(10)13)12-14-11(15-17-12)8-6-7-8/h8-10H,2-7H2,1H3
InChIKeyDQGATLLIVUMBJS-UHFFFAOYSA-N
MW316.27 g/mol
LogP3.56
Rot. Bonds3

About N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine

N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 102637636) has the molecular formula C12H18BrN3S and a molecular weight of 316.27 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID102637636
Molecular FormulaC12H18BrN3S
Molecular Weight316.27 g/mol
Exact Mass315.04
IUPAC NameN-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C2CC2)ns1)C1CCCCC1Br
InChIInChI=1S/C12H18BrN3S/c1-16(10-5-3-2-4-9(10)13)12-14-11(15-17-12)8-6-7-8/h8-10H,2-7H2,1H3
InChIKeyDQGATLLIVUMBJS-UHFFFAOYSA-N
XLogP3.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
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)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 102637615
N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 131179833
N-(2-chloroethyl)-3-cyclopropyl-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65277512
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol
CID 115681060
N-(2-chloroethyl)-N-cyclobutyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 102871748
2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 102675252
N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 133429634
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid
CID 65272940
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 65275225
N-(2-bromocyclohexyl)-5-iodo-N-methylpyrimidin-2-amine
CID 102637613
3-cyclopentyl-1,2,4-thiadiazol-5-amine
CID 60923099
3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133358527

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine (CID 102637636) is N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine is CN(c1nc(C2CC2)ns1)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DQGATLLIVUMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3S/c1-16(10-5-3-2-4-9(10)13)12-14-11(15-17-12)8-6-7-8/h8-10H,2-7H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine?
N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 316.27 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-3-cyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 102637636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).