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

C14H20F3N3O2S — CID 178004624

IUPACtert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H20F3N3O2S/c1-13(2,3)22-12(21)20-6-4-9(5-7-20)19-11-18-8-10(23-11)14(15,16)17/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKeyKHLJOPZQTOMUQN-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.97
Rot. Bonds2

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

tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate (PubChem CID 178004624) has the molecular formula C14H20F3N3O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
PubChem CID178004624
Molecular FormulaC14H20F3N3O2S
Molecular Weight351.39 g/mol
Exact Mass351.12
IUPAC Nametert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H20F3N3O2S/c1-13(2,3)22-12(21)20-6-4-9(5-7-20)19-11-18-8-10(23-11)14(15,16)17/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKeyKHLJOPZQTOMUQN-UHFFFAOYSA-N
XLogP3.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;N-piperidin-1-ium-4-yl-5-(trifluoromethyl)pyridin-2-amine;chloride
CID 158175517
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 4-[[5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 171468944
tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
CID 167931452
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653
tert-butyl 4-[2-bromo-5-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 114042668
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 23131099
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
tert-butyl 4-[4-amino-3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 89025289
tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate
CID 75434801

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate (CID 178004624) is tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ncc(C(F)(F)F)s2)CC1.
What is the InChIKey of tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is KHLJOPZQTOMUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2S/c1-13(2,3)22-12(21)20-6-4-9(5-7-20)19-11-18-8-10(23-11)14(15,16)17/h8-9H,4-7H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 351.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 178004624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).