ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate

C15H20N4O2S — CID 15725159

IUPACethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(/N=c2\sc3ncccc3n2C)CC1
InChIInChI=1S/C15H20N4O2S/c1-3-21-15(20)19-9-6-11(7-10-19)17-14-18(2)12-5-4-8-16-13(12)22-14/h4-5,8,11H,3,6-7,9-10H2,1-2H3/b17-14-
InChIKeyMOADSBUULZRZJI-VKAVYKQESA-N
MW320.42 g/mol
LogP2.16
Rot. Bonds2

About ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate

ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate (PubChem CID 15725159) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate
PubChem CID15725159
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Nameethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(/N=c2\sc3ncccc3n2C)CC1
InChIInChI=1S/C15H20N4O2S/c1-3-21-15(20)19-9-6-11(7-10-19)17-14-18(2)12-5-4-8-16-13(12)22-14/h4-5,8,11H,3,6-7,9-10H2,1-2H3/b17-14-
InChIKeyMOADSBUULZRZJI-VKAVYKQESA-N
XLogP2.16
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate (CID 15725159) is ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(/N=c2\sc3ncccc3n2C)CC1.
What is the InChIKey of ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate?
The InChIKey is MOADSBUULZRZJI-VKAVYKQESA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-21-15(20)19-9-6-11(7-10-19)17-14-18(2)12-5-4-8-16-13(12)22-14/h4-5,8,11H,3,6-7,9-10H2,1-2H3/b17-14-.
What are the key properties of ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate?
ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate has a molecular weight of 320.42 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-ylidene)amino]piperidine-1-carboxylate is sourced from PubChem (CID 15725159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).