ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate

C24H26F3N5O3S — CID 139438805

IUPACethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2=NC=C(C(=O)Nc3nc(-c4ccc(C)c(C(F)(F)F)c4)cs3)NC2)CC1
InChIInChI=1S/C24H26F3N5O3S/c1-3-35-22(34)15-6-8-32(9-7-15)20-12-28-18(11-29-20)21(33)31-23-30-19(13-36-23)16-5-4-14(2)17(10-16)24(25,26)27/h4-5,10-11,13,15,28H,3,6-9,12H2,1-2H3,(H,30,31,33)
InChIKeyIVNRGUAHOLGOCO-UHFFFAOYSA-N
MW521.57 g/mol
LogP4.19
Rot. Bonds5

About ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate

ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate (PubChem CID 139438805) has the molecular formula C24H26F3N5O3S and a molecular weight of 521.57 g/mol. Its IUPAC name is ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate
PubChem CID139438805
Molecular FormulaC24H26F3N5O3S
Molecular Weight521.57 g/mol
Exact Mass521.17
IUPAC Nameethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2=NC=C(C(=O)Nc3nc(-c4ccc(C)c(C(F)(F)F)c4)cs3)NC2)CC1
InChIInChI=1S/C24H26F3N5O3S/c1-3-35-22(34)15-6-8-32(9-7-15)20-12-28-18(11-29-20)21(33)31-23-30-19(13-36-23)16-5-4-14(2)17(10-16)24(25,26)27/h4-5,10-11,13,15,28H,3,6-9,12H2,1-2H3,(H,30,31,33)
InChIKeyIVNRGUAHOLGOCO-UHFFFAOYSA-N
XLogP4.19
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[5-[[4-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]piperidine-4-carboxylate
CID 118619617
ethyl 1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 24593683
ethyl 1-[3-chloro-5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 15949270
ethyl 1-[5-[[4-(3,5-dichloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]piperidine-4-carboxylate
CID 118630458
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32938737
[2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 45352782
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 41313078
ethyl 1-[2-[4-methyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate
CID 55477689
1-acetyl-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17453393
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118630380
ethyl (3R)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 26240251
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18205216

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate (CID 139438805) is ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C2=NC=C(C(=O)Nc3nc(-c4ccc(C)c(C(F)(F)F)c4)cs3)NC2)CC1.
What is the InChIKey of ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate?
The InChIKey is IVNRGUAHOLGOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3S/c1-3-35-22(34)15-6-8-32(9-7-15)20-12-28-18(11-29-20)21(33)31-23-30-19(13-36-23)16-5-4-14(2)17(10-16)24(25,26)27/h4-5,10-11,13,15,28H,3,6-9,12H2,1-2H3,(H,30,31,33).
What are the key properties of ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate?
ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate has a molecular weight of 521.57 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-[[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 139438805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).