2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol

C16H17N3OS — CID 70828694

IUPAC2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol
SMILESCN(C)c1ccc(-c2nc3ccc(CCO)nc3s2)cc1
InChIInChI=1S/C16H17N3OS/c1-19(2)13-6-3-11(4-7-13)15-18-14-8-5-12(9-10-20)17-16(14)21-15/h3-8,20H,9-10H2,1-2H3
InChIKeyASKPAZYQALHTGB-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.96
Rot. Bonds4

About 2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol

2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol (PubChem CID 70828694) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol
PubChem CID70828694
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol
SMILESCN(C)c1ccc(-c2nc3ccc(CCO)nc3s2)cc1
InChIInChI=1S/C16H17N3OS/c1-19(2)13-6-3-11(4-7-13)15-18-14-8-5-12(9-10-20)17-16(14)21-15/h3-8,20H,9-10H2,1-2H3
InChIKeyASKPAZYQALHTGB-UHFFFAOYSA-N
XLogP2.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol (CID 70828694) is 2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol is CN(C)c1ccc(-c2nc3ccc(CCO)nc3s2)cc1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol?
The InChIKey is ASKPAZYQALHTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-19(2)13-6-3-11(4-7-13)15-18-14-8-5-12(9-10-20)17-16(14)21-15/h3-8,20H,9-10H2,1-2H3.
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol?
2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol has a molecular weight of 299.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol is sourced from PubChem (CID 70828694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).