(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine

C27H32F3N5O2S — CID 162621700

IUPAC(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)cs1.O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1CC1CCOCC1
InChIInChI=1S/C18H24F3N3O2.C9H8N2S/c19-18(20,21)14-4-5-16(22-11-14)23-17(25)15-3-1-2-8-24(15)12-13-6-9-26-10-7-13;10-9-11-8(6-12-9)7-4-2-1-3-5-7/h4-5,11,13,15H,1-3,6-10,12H2,(H,22,23,25);1-6H,(H2,10,11)/t15-;/m0./s1
InChIKeyAIOXPIAWWPUGDE-RSAXXLAASA-N
MW547.65 g/mol
LogP5.71
Rot. Bonds5

About (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine

(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine (PubChem CID 162621700) has the molecular formula C27H32F3N5O2S and a molecular weight of 547.65 g/mol. Its IUPAC name is (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine
PubChem CID162621700
Molecular FormulaC27H32F3N5O2S
Molecular Weight547.65 g/mol
Exact Mass547.22
IUPAC Name(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)cs1.O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1CC1CCOCC1
InChIInChI=1S/C18H24F3N3O2.C9H8N2S/c19-18(20,21)14-4-5-16(22-11-14)23-17(25)15-3-1-2-8-24(15)12-13-6-9-26-10-7-13;10-9-11-8(6-12-9)7-4-2-1-3-5-7/h4-5,11,13,15H,1-3,6-10,12H2,(H,22,23,25);1-6H,(H2,10,11)/t15-;/m0./s1
InChIKeyAIOXPIAWWPUGDE-RSAXXLAASA-N
XLogP5.71
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.65
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-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 (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine (CID 162621700) is (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)cs1.O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1CC1CCOCC1.
What is the InChIKey of (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine?
The InChIKey is AIOXPIAWWPUGDE-RSAXXLAASA-N. The full InChI is InChI=1S/C18H24F3N3O2.C9H8N2S/c19-18(20,21)14-4-5-16(22-11-14)23-17(25)15-3-1-2-8-24(15)12-13-6-9-26-10-7-13;10-9-11-8(6-12-9)7-4-2-1-3-5-7/h4-5,11,13,15H,1-3,6-10,12H2,(H,22,23,25);1-6H,(H2,10,11)/t15-;/m0./s1.
What are the key properties of (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine?
(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine has a molecular weight of 547.65 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide;4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 162621700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).