N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H24F3N7S — CID 67343730

IUPACN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCC(Nc3nc4c(C5=CCC(C(F)(F)F)CC5)cccn4n3)CC2)n1
InChIInChI=1S/C21H24F3N7S/c1-13-25-20(32-29-13)30-11-8-16(9-12-30)26-19-27-18-17(3-2-10-31(18)28-19)14-4-6-15(7-5-14)21(22,23)24/h2-4,10,15-16H,5-9,11-12H2,1H3,(H,26,28)
InChIKeyZHQOEMOHYIDGNG-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.72
Rot. Bonds4

About N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67343730) has the molecular formula C21H24F3N7S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67343730
Molecular FormulaC21H24F3N7S
Molecular Weight463.53 g/mol
Exact Mass463.18
IUPAC NameN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCC(Nc3nc4c(C5=CCC(C(F)(F)F)CC5)cccn4n3)CC2)n1
InChIInChI=1S/C21H24F3N7S/c1-13-25-20(32-29-13)30-11-8-16(9-12-30)26-19-27-18-17(3-2-10-31(18)28-19)14-4-6-15(7-5-14)21(22,23)24/h2-4,10,15-16H,5-9,11-12H2,1H3,(H,26,28)
InChIKeyZHQOEMOHYIDGNG-UHFFFAOYSA-N
XLogP4.72
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67343730) is N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2CCC(Nc3nc4c(C5=CCC(C(F)(F)F)CC5)cccn4n3)CC2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ZHQOEMOHYIDGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7S/c1-13-25-20(32-29-13)30-11-8-16(9-12-30)26-19-27-18-17(3-2-10-31(18)28-19)14-4-6-15(7-5-14)21(22,23)24/h2-4,10,15-16H,5-9,11-12H2,1H3,(H,26,28).
What are the key properties of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 463.53 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67343730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).