5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine

C20H23N5S — CID 42377478

IUPAC5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
SMILESc1nc(CCNc2nncc(-c3ccc(C4CCCCC4)cc3)n2)cs1
InChIInChI=1S/C20H23N5S/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-12-23-25-20(24-19)21-11-10-18-13-26-14-22-18/h6-9,12-15H,1-5,10-11H2,(H,21,24,25)
InChIKeyZWXKRTJRMXARCP-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.70
Rot. Bonds6

About 5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine

5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 42377478) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
PubChem CID42377478
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
SMILESc1nc(CCNc2nncc(-c3ccc(C4CCCCC4)cc3)n2)cs1
InChIInChI=1S/C20H23N5S/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-12-23-25-20(24-19)21-11-10-18-13-26-14-22-18/h6-9,12-15H,1-5,10-11H2,(H,21,24,25)
InChIKeyZWXKRTJRMXARCP-UHFFFAOYSA-N
XLogP4.70
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine (CID 42377478) is 5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine is c1nc(CCNc2nncc(-c3ccc(C4CCCCC4)cc3)n2)cs1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is ZWXKRTJRMXARCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-12-23-25-20(24-19)21-11-10-18-13-26-14-22-18/h6-9,12-15H,1-5,10-11H2,(H,21,24,25).
What are the key properties of 5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine?
5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 365.51 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 42377478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).