5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C11H10N4OS2 — CID 155258702

IUPAC5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCS(=O)c1cnc(-c2cnc3[nH]ccc3c2N)s1
InChIInChI=1S/C11H10N4OS2/c1-18(16)8-5-15-11(17-8)7-4-14-10-6(9(7)12)2-3-13-10/h2-5H,1H3,(H3,12,13,14)
InChIKeyZUQADGJEJREMLN-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.01
Rot. Bonds2

About 5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 155258702) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID155258702
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC Name5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCS(=O)c1cnc(-c2cnc3[nH]ccc3c2N)s1
InChIInChI=1S/C11H10N4OS2/c1-18(16)8-5-15-11(17-8)7-4-14-10-6(9(7)12)2-3-13-10/h2-5H,1H3,(H3,12,13,14)
InChIKeyZUQADGJEJREMLN-UHFFFAOYSA-N
XLogP2.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 155258702) is 5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is CS(=O)c1cnc(-c2cnc3[nH]ccc3c2N)s1.
What is the InChIKey of 5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is ZUQADGJEJREMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c1-18(16)8-5-15-11(17-8)7-4-14-10-6(9(7)12)2-3-13-10/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylsulfinyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 155258702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).