N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

C21H26N4O2S — CID 46882517

IUPACN-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3nc4cccnc4s3)CC2)ccc1OC
InChIInChI=1S/C21H26N4O2S/c1-3-27-19-13-15(6-7-18(19)26-2)14-25-11-8-16(9-12-25)23-21-24-17-5-4-10-22-20(17)28-21/h4-7,10,13,16H,3,8-9,11-12,14H2,1-2H3,(H,23,24)
InChIKeySUTRIXISORYJFX-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.18
Rot. Bonds7

About N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 46882517) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID46882517
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3nc4cccnc4s3)CC2)ccc1OC
InChIInChI=1S/C21H26N4O2S/c1-3-27-19-13-15(6-7-18(19)26-2)14-25-11-8-16(9-12-25)23-21-24-17-5-4-10-22-20(17)28-21/h4-7,10,13,16H,3,8-9,11-12,14H2,1-2H3,(H,23,24)
InChIKeySUTRIXISORYJFX-UHFFFAOYSA-N
XLogP4.18
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 46882517) is N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is CCOc1cc(CN2CCC(Nc3nc4cccnc4s3)CC2)ccc1OC.
What is the InChIKey of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is SUTRIXISORYJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-3-27-19-13-15(6-7-18(19)26-2)14-25-11-8-16(9-12-25)23-21-24-17-5-4-10-22-20(17)28-21/h4-7,10,13,16H,3,8-9,11-12,14H2,1-2H3,(H,23,24).
What are the key properties of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 398.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 46882517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).