7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C13H11ClN4S2 — CID 59646499

IUPAC7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCSc1ccccc1Nc1nc2c(Cl)nc(C)nc2s1
InChIInChI=1S/C13H11ClN4S2/c1-7-15-11(14)10-12(16-7)20-13(18-10)17-8-5-3-4-6-9(8)19-2/h3-6H,1-2H3,(H,17,18)
InChIKeyWXFAYKXKRAYOOV-UHFFFAOYSA-N
MW322.85 g/mol
LogP4.51
Rot. Bonds3

About 7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 59646499) has the molecular formula C13H11ClN4S2 and a molecular weight of 322.85 g/mol. Its IUPAC name is 7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID59646499
Molecular FormulaC13H11ClN4S2
Molecular Weight322.85 g/mol
Exact Mass322.01
IUPAC Name7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCSc1ccccc1Nc1nc2c(Cl)nc(C)nc2s1
InChIInChI=1S/C13H11ClN4S2/c1-7-15-11(14)10-12(16-7)20-13(18-10)17-8-5-3-4-6-9(8)19-2/h3-6H,1-2H3,(H,17,18)
InChIKeyWXFAYKXKRAYOOV-UHFFFAOYSA-N
XLogP4.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 59646499) is 7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is CSc1ccccc1Nc1nc2c(Cl)nc(C)nc2s1.
What is the InChIKey of 7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is WXFAYKXKRAYOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S2/c1-7-15-11(14)10-12(16-7)20-13(18-10)17-8-5-3-4-6-9(8)19-2/h3-6H,1-2H3,(H,17,18).
What are the key properties of 7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 322.85 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 59646499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).