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

C22H23F3N4S — CID 56662430

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCc1cnc(N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1
InChIInChI=1S/C22H23F3N4S/c1-15-13-27-21(30-15)29-11-8-19(9-12-29)28-20(17-3-2-10-26-14-17)16-4-6-18(7-5-16)22(23,24)25/h2-7,10,13-14,19-20,28H,8-9,11-12H2,1H3
InChIKeyOJTBCUWMSPJWOV-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.21
Rot. Bonds5

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

1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 56662430) has the molecular formula C22H23F3N4S and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID56662430
Molecular FormulaC22H23F3N4S
Molecular Weight432.52 g/mol
Exact Mass432.16
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCc1cnc(N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1
InChIInChI=1S/C22H23F3N4S/c1-15-13-27-21(30-15)29-11-8-19(9-12-29)28-20(17-3-2-10-26-14-17)16-4-6-18(7-5-16)22(23,24)25/h2-7,10,13-14,19-20,28H,8-9,11-12H2,1H3
InChIKeyOJTBCUWMSPJWOV-UHFFFAOYSA-N
XLogP5.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 56662430) is 1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is Cc1cnc(N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is OJTBCUWMSPJWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4S/c1-15-13-27-21(30-15)29-11-8-19(9-12-29)28-20(17-3-2-10-26-14-17)16-4-6-18(7-5-16)22(23,24)25/h2-7,10,13-14,19-20,28H,8-9,11-12H2,1H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 432.52 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 56662430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).