4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

C15H14ClN5O3S2 — CID 87306656

IUPAC4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESCS(=O)(=O)c1cncc(-c2nc3c(N4CCOCC4)nc(Cl)nc3s2)c1
InChIInChI=1S/C15H14ClN5O3S2/c1-26(22,23)10-6-9(7-17-8-10)13-18-11-12(21-2-4-24-5-3-21)19-15(16)20-14(11)25-13/h6-8H,2-5H2,1H3
InChIKeyCMFZBLZUXWQCPO-UHFFFAOYSA-N
MW411.90 g/mol
LogP2.04
Rot. Bonds3

About 4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (PubChem CID 87306656) has the molecular formula C15H14ClN5O3S2 and a molecular weight of 411.90 g/mol. Its IUPAC name is 4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
PubChem CID87306656
Molecular FormulaC15H14ClN5O3S2
Molecular Weight411.90 g/mol
Exact Mass411.02
IUPAC Name4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESCS(=O)(=O)c1cncc(-c2nc3c(N4CCOCC4)nc(Cl)nc3s2)c1
InChIInChI=1S/C15H14ClN5O3S2/c1-26(22,23)10-6-9(7-17-8-10)13-18-11-12(21-2-4-24-5-3-21)19-15(16)20-14(11)25-13/h6-8H,2-5H2,1H3
InChIKeyCMFZBLZUXWQCPO-UHFFFAOYSA-N
XLogP2.04
TPSA98.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-(2,5-dichloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 25255100
N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide
CID 86630074
4-(5-chloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 58234939
4-(2,6-dichlorothieno[2,3-d]pyrimidin-4-yl)morpholine
CID 86624262
(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-(4-methylsulfonylphenyl)methanol
CID 86618454
4-[2-chloro-9-(methylsulfonylmethyl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921437
4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032599
4-[5-methyl-2-(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 102336956
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 25254303
1-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)ethanamine
CID 91607698
4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 56833948

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (CID 87306656) is 4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is CS(=O)(=O)c1cncc(-c2nc3c(N4CCOCC4)nc(Cl)nc3s2)c1.
What is the InChIKey of 4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The InChIKey is CMFZBLZUXWQCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3S2/c1-26(22,23)10-6-9(7-17-8-10)13-18-11-12(21-2-4-24-5-3-21)19-15(16)20-14(11)25-13/h6-8H,2-5H2,1H3.
What are the key properties of 4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine has a molecular weight of 411.90 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 87306656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).