7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine

C9H11N3S2 — CID 135319692

IUPAC7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine
SMILESCCc1c(N)cnc2nc(SC)sc12
InChIInChI=1S/C9H11N3S2/c1-3-5-6(10)4-11-8-7(5)14-9(12-8)13-2/h4H,3,10H2,1-2H3
InChIKeyZQGHCKSUTBJUHS-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.56
Rot. Bonds2

About 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine

7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine (PubChem CID 135319692) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine
PubChem CID135319692
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine
SMILESCCc1c(N)cnc2nc(SC)sc12
InChIInChI=1S/C9H11N3S2/c1-3-5-6(10)4-11-8-7(5)14-9(12-8)13-2/h4H,3,10H2,1-2H3
InChIKeyZQGHCKSUTBJUHS-UHFFFAOYSA-N
XLogP2.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine (CID 135319692) is 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine is CCc1c(N)cnc2nc(SC)sc12.
What is the InChIKey of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine?
The InChIKey is ZQGHCKSUTBJUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-3-5-6(10)4-11-8-7(5)14-9(12-8)13-2/h4H,3,10H2,1-2H3.
What are the key properties of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine?
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine has a molecular weight of 225.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 135319692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).