2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine

C11H15N3S — CID 65335832

IUPAC2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine
SMILESCC(C)(N)CCc1nc2cccnc2s1
InChIInChI=1S/C11H15N3S/c1-11(2,12)6-5-9-14-8-4-3-7-13-10(8)15-9/h3-4,7H,5-6,12H2,1-2H3
InChIKeyOBWNLXFRMAUWJK-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.36
Rot. Bonds3

About 2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine

2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine (PubChem CID 65335832) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine
PubChem CID65335832
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine
SMILESCC(C)(N)CCc1nc2cccnc2s1
InChIInChI=1S/C11H15N3S/c1-11(2,12)6-5-9-14-8-4-3-7-13-10(8)15-9/h3-4,7H,5-6,12H2,1-2H3
InChIKeyOBWNLXFRMAUWJK-UHFFFAOYSA-N
XLogP2.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine (CID 65335832) is 2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine is CC(C)(N)CCc1nc2cccnc2s1.
What is the InChIKey of 2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine?
The InChIKey is OBWNLXFRMAUWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-11(2,12)6-5-9-14-8-4-3-7-13-10(8)15-9/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine?
2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine is sourced from PubChem (CID 65335832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).