tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate

C15H21F3N4O3S — CID 59313092

IUPACtert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2nc(N)c(C(=O)C(F)(F)F)s2)C1
InChIInChI=1S/C15H21F3N4O3S/c1-14(2,3)25-13(24)22-6-4-5-8(7-22)20-12-21-11(19)9(26-12)10(23)15(16,17)18/h8H,4-7,19H2,1-3H3,(H,20,21)
InChIKeyLFWFRTMAYMSGDP-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate

tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate (PubChem CID 59313092) has the molecular formula C15H21F3N4O3S and a molecular weight of 394.42 g/mol. Its IUPAC name is tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
PubChem CID59313092
Molecular FormulaC15H21F3N4O3S
Molecular Weight394.42 g/mol
Exact Mass394.13
IUPAC Nametert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2nc(N)c(C(=O)C(F)(F)F)s2)C1
InChIInChI=1S/C15H21F3N4O3S/c1-14(2,3)25-13(24)22-6-4-5-8(7-22)20-12-21-11(19)9(26-12)10(23)15(16,17)18/h8H,4-7,19H2,1-3H3,(H,20,21)
InChIKeyLFWFRTMAYMSGDP-UHFFFAOYSA-N
XLogP3.28
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 91409364
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 11951440
tert-butyl 3-(3,5-difluoroanilino)piperidine-1-carboxylate
CID 103625864
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-[[6-bromo-5-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 166885100
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
tert-butyl (3R)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate
CID 118101718
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate
CID 155388543
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate (CID 59313092) is tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Nc2nc(N)c(C(=O)C(F)(F)F)s2)C1.
What is the InChIKey of tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is LFWFRTMAYMSGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3S/c1-14(2,3)25-13(24)22-6-4-5-8(7-22)20-12-21-11(19)9(26-12)10(23)15(16,17)18/h8H,4-7,19H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 394.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-amino-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 59313092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).