tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate

C17H24N4O2S — CID 86717453

IUPACtert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3ccsc23)CC1
InChIInChI=1S/C17H24N4O2S/c1-17(2,3)23-16(22)21-7-4-11(5-8-21)20-14-12(18)10-19-13-6-9-24-15(13)14/h6,9-11H,4-5,7-8,18H2,1-3H3,(H,19,20)
InChIKeyULDFAUPCBAUIIQ-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.69
Rot. Bonds2

About tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate (PubChem CID 86717453) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate
PubChem CID86717453
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Nametert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3ccsc23)CC1
InChIInChI=1S/C17H24N4O2S/c1-17(2,3)23-16(22)21-7-4-11(5-8-21)20-14-12(18)10-19-13-6-9-24-15(13)14/h6,9-11H,4-5,7-8,18H2,1-3H3,(H,19,20)
InChIKeyULDFAUPCBAUIIQ-UHFFFAOYSA-N
XLogP3.69
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate
CID 71212336
tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate
CID 139938433
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653
tert-butyl (3R)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate
CID 118101718
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 4-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]piperidine-1-carboxylate
CID 163381732
tert-butyl 4-(6-amino-2-cyano-3-fluoroanilino)piperidine-1-carboxylate
CID 118209055
tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate
CID 130377904
tert-butyl 4-[4-amino-3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 89025289

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate (CID 86717453) is tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3ccsc23)CC1.
What is the InChIKey of tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate?
The InChIKey is ULDFAUPCBAUIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-17(2,3)23-16(22)21-7-4-11(5-8-21)20-14-12(18)10-19-13-6-9-24-15(13)14/h6,9-11H,4-5,7-8,18H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate has a molecular weight of 348.47 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 86717453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).