5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine

C10H16BrN3S — CID 79873409

IUPAC5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(C)CCCCC1Nc1nnc(Br)s1
InChIInChI=1S/C10H16BrN3S/c1-10(2)6-4-3-5-7(10)12-9-14-13-8(11)15-9/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyMAKBXNCHLKVPHT-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.68
Rot. Bonds2

About 5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine (PubChem CID 79873409) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
PubChem CID79873409
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(C)CCCCC1Nc1nnc(Br)s1
InChIInChI=1S/C10H16BrN3S/c1-10(2)6-4-3-5-7(10)12-9-14-13-8(11)15-9/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyMAKBXNCHLKVPHT-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647857
N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 79870218
N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165506
N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 79870367
N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79871977
5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine
CID 79861729
4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine
CID 79873127
5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
CID 103518309
5-bromo-N-(2,2-dimethylcyclohexyl)-2,4-difluoroaniline
CID 102853156
5-bromo-4-N-(2,2-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80849952
5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962960
N-(2,2-dimethylcyclohexyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362732

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine (CID 79873409) is 5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine is CC1(C)CCCCC1Nc1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MAKBXNCHLKVPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-10(2)6-4-3-5-7(10)12-9-14-13-8(11)15-9/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 290.23 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79873409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).