6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C11H16N4S — CID 116829121

IUPAC6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCc1sc2nc(N)nn2c1C1CCCCC1
InChIInChI=1S/C11H16N4S/c1-7-9(8-5-3-2-4-6-8)15-11(16-7)13-10(12)14-15/h8H,2-6H2,1H3,(H2,12,14)
InChIKeyABLYEOFVQWTLMP-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.73
Rot. Bonds1

About 6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 116829121) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID116829121
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCc1sc2nc(N)nn2c1C1CCCCC1
InChIInChI=1S/C11H16N4S/c1-7-9(8-5-3-2-4-6-8)15-11(16-7)13-10(12)14-15/h8H,2-6H2,1H3,(H2,12,14)
InChIKeyABLYEOFVQWTLMP-UHFFFAOYSA-N
XLogP2.73
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopentyl-1,4-dimethylpyrazol-3-amine
CID 83846467
2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
CID 136824656
7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118010450
3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine
CID 138684397
6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
CID 67528754
5-cyclohexyl-1,2,4-thiadiazol-3-amine
CID 64536605
5-cyclobutyl-1,4-dimethylpyrazol-3-amine
CID 83845846
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
CID 62794324
3-cyclooctyl-1-methylpyrazol-5-amine
CID 65018284
2-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025320
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-6-methylaniline
CID 114355578
4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
CID 83241557

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of 6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 116829121) is 6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for 6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for 6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is Cc1sc2nc(N)nn2c1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is ABLYEOFVQWTLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7-9(8-5-3-2-4-6-8)15-11(16-7)13-10(12)14-15/h8H,2-6H2,1H3,(H2,12,14).
What are the key properties of 6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 116829121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).