4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole

C11H14N4S — CID 63021841

IUPAC4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESc1nc(-c2n[nH]c(C3CCCCC3)n2)cs1
InChIInChI=1S/C11H14N4S/c1-2-4-8(5-3-1)10-13-11(15-14-10)9-6-16-7-12-9/h6-8H,1-5H2,(H,13,14,15)
InChIKeyKNROQNYYJLMUCE-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.98
Rot. Bonds2

About 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole

4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole (PubChem CID 63021841) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
PubChem CID63021841
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESc1nc(-c2n[nH]c(C3CCCCC3)n2)cs1
InChIInChI=1S/C11H14N4S/c1-2-4-8(5-3-1)10-13-11(15-14-10)9-6-16-7-12-9/h6-8H,1-5H2,(H,13,14,15)
InChIKeyKNROQNYYJLMUCE-UHFFFAOYSA-N
XLogP2.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole (CID 63021841) is 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole is c1nc(-c2n[nH]c(C3CCCCC3)n2)cs1.
What is the InChIKey of 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole?
The InChIKey is KNROQNYYJLMUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-4-8(5-3-1)10-13-11(15-14-10)9-6-16-7-12-9/h6-8H,1-5H2,(H,13,14,15).
What are the key properties of 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole?
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole has a molecular weight of 234.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 63021841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).