tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate

C25H32F3N5O3S — CID 58428697

IUPACtert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(CC(=O)c3sc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C25H32F3N5O3S/c1-24(2,3)36-23(35)33-13-11-31(12-14-33)19-8-7-17(16-29-19)15-18(34)20-21(25(26,27)28)30-22(37-20)32-9-5-4-6-10-32/h7-8,16H,4-6,9-15H2,1-3H3
InChIKeyYUEMAQSLPZVCNA-UHFFFAOYSA-N
MW539.62 g/mol
LogP5.03
Rot. Bonds5

About tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 58428697) has the molecular formula C25H32F3N5O3S and a molecular weight of 539.62 g/mol. Its IUPAC name is tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID58428697
Molecular FormulaC25H32F3N5O3S
Molecular Weight539.62 g/mol
Exact Mass539.22
IUPAC Nametert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(CC(=O)c3sc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C25H32F3N5O3S/c1-24(2,3)36-23(35)33-13-11-31(12-14-33)19-8-7-17(16-29-19)15-18(34)20-21(25(26,27)28)30-22(37-20)32-9-5-4-6-10-32/h7-8,16H,4-6,9-15H2,1-3H3
InChIKeyYUEMAQSLPZVCNA-UHFFFAOYSA-N
XLogP5.03
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.62
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2-Methyl-4-phenyl-1,3-thiazol-5-yl)-[2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 70696349
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methylpyridin-2-yl)-1,3-thiazol-4-yl]methanone
CID 130341876
Tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 71662402
Tert-butyl 4-[5-[(4-carbamoyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 71060958
1-(4-Fluorobenzoyl)-4-[5-(4-methyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine
CID 53172775
1-(3-Fluorobenzoyl)-4-[5-(4-methyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine
CID 53172783
1-(3,4-Difluorobenzoyl)-4-[5-(4-methyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine
CID 53172784
1-(2,5-Difluorobenzoyl)-4-[5-(4-methyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine
CID 53172792
1-[5-(4-Ethyl-1,3-thiazol-2-yl)pyridin-2-yl]-4-(4-fluorobenzoyl)piperazine
CID 53172822
1-[5-(4-Ethyl-1,3-thiazol-2-YL)pyridin-2-YL]-4-(3-fluorobenzoyl)piperazine
CID 53172826
1-(3,4-Difluorobenzoyl)-4-[5-(4-ethyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine
CID 53172827
1-[5-(4,5-Dimethyl-1,3-thiazol-2-yl)pyridin-2-yl]-4-(2-fluorobenzoyl)piperazine
CID 53172853

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate (CID 58428697) is tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(CC(=O)c3sc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is YUEMAQSLPZVCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O3S/c1-24(2,3)36-23(35)33-13-11-31(12-14-33)19-8-7-17(16-29-19)15-18(34)20-21(25(26,27)28)30-22(37-20)32-9-5-4-6-10-32/h7-8,16H,4-6,9-15H2,1-3H3.
What are the key properties of tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 539.62 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 58428697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).