tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate

C20H30N6O3S — CID 140804152

IUPACtert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN(c2nc3nc(N4CCOCC4)sc3cc2N)C1
InChIInChI=1S/C20H30N6O3S/c1-20(2,3)29-19(27)22-13-5-4-6-26(12-13)17-14(21)11-15-16(23-17)24-18(30-15)25-7-9-28-10-8-25/h11,13H,4-10,12,21H2,1-3H3,(H,22,27)/t13-/m0/s1
InChIKeyXFIITTPHGBYZNY-ZDUSSCGKSA-N
MW434.57 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate (PubChem CID 140804152) has the molecular formula C20H30N6O3S and a molecular weight of 434.57 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate
PubChem CID140804152
Molecular FormulaC20H30N6O3S
Molecular Weight434.57 g/mol
Exact Mass434.21
IUPAC Nametert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN(c2nc3nc(N4CCOCC4)sc3cc2N)C1
InChIInChI=1S/C20H30N6O3S/c1-20(2,3)29-19(27)22-13-5-4-6-26(12-13)17-14(21)11-15-16(23-17)24-18(30-15)25-7-9-28-10-8-25/h11,13H,4-10,12,21H2,1-3H3,(H,22,27)/t13-/m0/s1
InChIKeyXFIITTPHGBYZNY-ZDUSSCGKSA-N
XLogP2.60
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
CID 140804181
tert-butyl N-[1-[6-bromo-2-[3-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridin-5-yl]piperidin-4-yl]carbamate
CID 140804140
tert-butyl N-[(3R)-1-(2-morpholin-4-yl-6-nitro-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
CID 140804142
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 137310018
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 165437493
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]carbamate
CID 86329478
tert-butyl N-[(3S)-1-(5-iodopyrimidin-2-yl)piperidin-3-yl]carbamate
CID 171390444
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate (CID 140804152) is tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCN(c2nc3nc(N4CCOCC4)sc3cc2N)C1.
What is the InChIKey of tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate?
The InChIKey is XFIITTPHGBYZNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H30N6O3S/c1-20(2,3)29-19(27)22-13-5-4-6-26(12-13)17-14(21)11-15-16(23-17)24-18(30-15)25-7-9-28-10-8-25/h11,13H,4-10,12,21H2,1-3H3,(H,22,27)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate has a molecular weight of 434.57 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 140804152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).