1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C21H22F3N5S — CID 56658801

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCc1nnc(N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1
InChIInChI=1S/C21H22F3N5S/c1-14-27-28-20(30-14)29-11-8-18(9-12-29)26-19(16-3-2-10-25-13-16)15-4-6-17(7-5-15)21(22,23)24/h2-7,10,13,18-19,26H,8-9,11-12H2,1H3
InChIKeyZYGTUFSERFVICE-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.61
Rot. Bonds5

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

1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 56658801) has the molecular formula C21H22F3N5S and a molecular weight of 433.50 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID56658801
Molecular FormulaC21H22F3N5S
Molecular Weight433.50 g/mol
Exact Mass433.15
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCc1nnc(N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1
InChIInChI=1S/C21H22F3N5S/c1-14-27-28-20(30-14)29-11-8-18(9-12-29)26-19(16-3-2-10-25-13-16)15-4-6-17(7-5-15)21(22,23)24/h2-7,10,13,18-19,26H,8-9,11-12H2,1H3
InChIKeyZYGTUFSERFVICE-UHFFFAOYSA-N
XLogP4.61
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 56658801) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is Cc1nnc(N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is ZYGTUFSERFVICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5S/c1-14-27-28-20(30-14)29-11-8-18(9-12-29)26-19(16-3-2-10-25-13-16)15-4-6-17(7-5-15)21(22,23)24/h2-7,10,13,18-19,26H,8-9,11-12H2,1H3.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 433.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 56658801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).