5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine

C13H19N5S — CID 62794324

IUPAC5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(C2CCCCC2)nn1C
InChIInChI=1S/C13H19N5S/c1-8-10(19-13(14)15-8)12-16-11(17-18(12)2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H2,14,15)
InChIKeyDBFQGNKUJNGSQY-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.88
Rot. Bonds2

About 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine

5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 62794324) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID62794324
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(C2CCCCC2)nn1C
InChIInChI=1S/C13H19N5S/c1-8-10(19-13(14)15-8)12-16-11(17-18(12)2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H2,14,15)
InChIKeyDBFQGNKUJNGSQY-UHFFFAOYSA-N
XLogP2.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine (CID 62794324) is 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nc(C2CCCCC2)nn1C.
What is the InChIKey of 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is DBFQGNKUJNGSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-8-10(19-13(14)15-8)12-16-11(17-18(12)2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 277.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62794324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).