4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine

C14H13N5OS — CID 58507806

IUPAC4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESc1cncc(-c2nc(N3CCOCC3)c3scnc3n2)c1
InChIInChI=1S/C14H13N5OS/c1-2-10(8-15-3-1)12-17-13-11(21-9-16-13)14(18-12)19-4-6-20-7-5-19/h1-3,8-9H,4-7H2
InChIKeyBXKMRZKBOHTJJF-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.98
Rot. Bonds2

About 4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine

4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine (PubChem CID 58507806) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
PubChem CID58507806
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESc1cncc(-c2nc(N3CCOCC3)c3scnc3n2)c1
InChIInChI=1S/C14H13N5OS/c1-2-10(8-15-3-1)12-17-13-11(21-9-16-13)14(18-12)19-4-6-20-7-5-19/h1-3,8-9H,4-7H2
InChIKeyBXKMRZKBOHTJJF-UHFFFAOYSA-N
XLogP1.98
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-Morpholino-thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109202
4-(7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)morpholine
CID 736554
5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979020
N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine
CID 15979397
5-[5-[(E)-3-aminoprop-1-enyl]-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57867523
(2R)-2-[[2-amino-5-(pyridin-3-ylmethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
CID 71625501
4-(5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraen-3-yl)morpholine
CID 72196728
4-(10-Pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine
CID 4882134
4-Morpholin-4-yl-pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidine
CID 2823822
6-(Morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45279451
N-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholinomethyl)pyridin-2-yl)benzo[d]thiazol-5-amine
CID 59548399
5-Pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethoxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 89579611

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine (CID 58507806) is 4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine is c1cncc(-c2nc(N3CCOCC3)c3scnc3n2)c1.
What is the InChIKey of 4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The InChIKey is BXKMRZKBOHTJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-2-10(8-15-3-1)12-17-13-11(21-9-16-13)14(18-12)19-4-6-20-7-5-19/h1-3,8-9H,4-7H2.
What are the key properties of 4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine has a molecular weight of 299.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 58507806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).