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

C10H12N4O3S2 — CID 90706830

IUPAC4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESCS(=O)(=O)c1nc(N2CCOCC2)c2scnc2n1
InChIInChI=1S/C10H12N4O3S2/c1-19(15,16)10-12-8-7(18-6-11-8)9(13-10)14-2-4-17-5-3-14/h6H,2-5H2,1H3
InChIKeyGAZLJOLNKHZVCV-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.33
Rot. Bonds2

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

4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine (PubChem CID 90706830) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
PubChem CID90706830
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESCS(=O)(=O)c1nc(N2CCOCC2)c2scnc2n1
InChIInChI=1S/C10H12N4O3S2/c1-19(15,16)10-12-8-7(18-6-11-8)9(13-10)14-2-4-17-5-3-14/h6H,2-5H2,1H3
InChIKeyGAZLJOLNKHZVCV-UHFFFAOYSA-N
XLogP0.33
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 58508193
4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 46204597
4-(1H-pyrazolo[5,4-d][1,3]thiazol-3-yl)morpholine
CID 143782778
4-(7-methoxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)morpholine
CID 91806187
4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine
CID 156772502
4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 86630079
ethane;4-(4-methyl-1,3-thiazol-5-yl)morpholine
CID 142400413
4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24968944
4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032599
7-chloro-8-fluoro-N-methyl-2-methylsulfonyl-4-(1,4-oxazepan-4-yl)pyrido[4,3-d]pyrimidin-5-amine
CID 176594030
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763
4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869566

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine (CID 90706830) is 4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine is CS(=O)(=O)c1nc(N2CCOCC2)c2scnc2n1.
What is the InChIKey of 4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The InChIKey is GAZLJOLNKHZVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-19(15,16)10-12-8-7(18-6-11-8)9(13-10)14-2-4-17-5-3-14/h6H,2-5H2,1H3.
What are the key properties of 4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine has a molecular weight of 300.37 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 90706830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).