2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one

C11H15N3OS — CID 13099789

IUPAC2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one
SMILESCN(C)CCCn1sc2cccnc2c1=O
InChIInChI=1S/C11H15N3OS/c1-13(2)7-4-8-14-11(15)10-9(16-14)5-3-6-12-10/h3,5-6H,4,7-8H2,1-2H3
InChIKeyMJKMWDAKDCLWBQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.41
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one

2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one (PubChem CID 13099789) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one
PubChem CID13099789
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one
SMILESCN(C)CCCn1sc2cccnc2c1=O
InChIInChI=1S/C11H15N3OS/c1-13(2)7-4-8-14-11(15)10-9(16-14)5-3-6-12-10/h3,5-6H,4,7-8H2,1-2H3
InChIKeyMJKMWDAKDCLWBQ-UHFFFAOYSA-N
XLogP1.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one?
The IUPAC name of 2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one (CID 13099789) is 2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one is CN(C)CCCn1sc2cccnc2c1=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one?
The InChIKey is MJKMWDAKDCLWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-13(2)7-4-8-14-11(15)10-9(16-14)5-3-6-12-10/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one?
2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one has a molecular weight of 237.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one is sourced from PubChem (CID 13099789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).