4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine

C30H33N9O3S3 — CID 155684004

IUPAC4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine
SMILESc1cc2nc(N3CCOCC3)sc2cn1.c1cc2sc(N3CCOCC3)nc2cn1.c1cnc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/3C10H11N3OS/c1-2-11-7-8-9(1)15-10(12-8)13-3-5-14-6-4-13;1-2-11-7-9-8(1)12-10(15-9)13-3-5-14-6-4-13;1-2-8-9(11-3-1)12-10(15-8)13-4-6-14-7-5-13/h2*1-2,7H,3-6H2;1-3H,4-7H2
InChIKeyJQFIGMNMMDTKOU-UHFFFAOYSA-N
MW663.86 g/mol
LogP4.58
Rot. Bonds3

About 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine

4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine (PubChem CID 155684004) has the molecular formula C30H33N9O3S3 and a molecular weight of 663.86 g/mol. Its IUPAC name is 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine.

Molecular Properties

Compound Name4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine
PubChem CID155684004
Molecular FormulaC30H33N9O3S3
Molecular Weight663.86 g/mol
Exact Mass663.19
IUPAC Name4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine
SMILESc1cc2nc(N3CCOCC3)sc2cn1.c1cc2sc(N3CCOCC3)nc2cn1.c1cnc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/3C10H11N3OS/c1-2-11-7-8-9(1)15-10(12-8)13-3-5-14-6-4-13;1-2-11-7-9-8(1)12-10(15-9)13-3-5-14-6-4-13;1-2-8-9(11-3-1)12-10(15-8)13-4-6-14-7-5-13/h2*1-2,7H,3-6H2;1-3H,4-7H2
InChIKeyJQFIGMNMMDTKOU-UHFFFAOYSA-N
XLogP4.58
TPSA114.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

N2-(1-Acryloyl-4-piperidinyl)-6-(4-morpholinylmethyl)-N4-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,4-pyrimidinediamine (3)
CID 56940983
1-[(3s)-3-{[4-(Morpholin-4-Ylmethyl)-6-([1,3]thiazolo[5,4-B]pyridin-2-Ylamino)pyrimidin-2-Yl]amino}pyrrolidin-1-Yl]prop-2-En-1-One
CID 56940984
1-((2-(imidazo[1,2-a]pyridin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
CID 49833295
4-[[2-(2-Ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 162646104
4-[[2-(2-Ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-pyridin-3-ylpiperazin-2-one
CID 162676602
2-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 117666201
7-morpholin-4-yl-5-propylsulfanyl-N-pyridin-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 137634110
1-[(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 78225362
N2-[(3R)-1-Acryloyl-3-pyrrolidinyl]-6-(4-morpholinylmethyl)-N4-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,4-pyrimidinediamine (14)
CID 56940843
(3R)-3-methyl-4-[5-[(3S)-3-methylmorpholin-4-yl]-2-(1,3-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]morpholine
CID 172448331
(3R)-3-methyl-4-[5-[(3S)-3-methylmorpholin-4-yl]-2-pyridin-2-yl-[1,3]thiazolo[5,4-b]pyridin-7-yl]morpholine
CID 172452724
(3R)-3-methyl-4-[5-[(3S)-3-methylmorpholin-4-yl]-2-(1,3-thiazol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]morpholine
CID 172460927

Frequently Asked Questions

What is the IUPAC name of 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine?
The IUPAC name of 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine (CID 155684004) is 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine.
What is the SMILES notation for 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine?
The canonical SMILES for 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine is c1cc2nc(N3CCOCC3)sc2cn1.c1cc2sc(N3CCOCC3)nc2cn1.c1cnc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine?
The InChIKey is JQFIGMNMMDTKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H11N3OS/c1-2-11-7-8-9(1)15-10(12-8)13-3-5-14-6-4-13;1-2-11-7-9-8(1)12-10(15-9)13-3-5-14-6-4-13;1-2-8-9(11-3-1)12-10(15-8)13-4-6-14-7-5-13/h2*1-2,7H,3-6H2;1-3H,4-7H2.
What are the key properties of 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine?
4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine has a molecular weight of 663.86 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,3]thiazolo[4,5-b]pyridin-2-yl)morpholine;4-([1,3]thiazolo[4,5-c]pyridin-2-yl)morpholine;4-([1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine is sourced from PubChem (CID 155684004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).