7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine

C7H7N3OS2 — CID 151063826

IUPAC7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCOc1nc(SC)nc2scnc12
InChIInChI=1S/C7H7N3OS2/c1-11-5-4-6(13-3-8-4)10-7(9-5)12-2/h3H,1-2H3
InChIKeyMGSLBGSHMVCGOK-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.82
Rot. Bonds2

About 7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine

7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 151063826) has the molecular formula C7H7N3OS2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID151063826
Molecular FormulaC7H7N3OS2
Molecular Weight213.29 g/mol
Exact Mass213.00
IUPAC Name7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCOc1nc(SC)nc2scnc12
InChIInChI=1S/C7H7N3OS2/c1-11-5-4-6(13-3-8-4)10-7(9-5)12-2/h3H,1-2H3
InChIKeyMGSLBGSHMVCGOK-UHFFFAOYSA-N
XLogP1.82
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 89272586
5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 90356390
5-methoxy-7-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 151212590
(4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine
CID 83851940
4-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 12829003
4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
CID 55264858
6-methoxy-2-methylsulfanyl-7H-purine
CID 119082313
4,6-dimethoxy-2-methylsulfanyl-5-phenylpyrimidine
CID 139072516
5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine
CID 83867203
5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 166928332
5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 67123666
[4-[(2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanol
CID 175578641

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 151063826) is 7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine is COc1nc(SC)nc2scnc12.
What is the InChIKey of 7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is MGSLBGSHMVCGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS2/c1-11-5-4-6(13-3-8-4)10-7(9-5)12-2/h3H,1-2H3.
What are the key properties of 7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 213.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 151063826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).