2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol

C16H21N3OS — CID 143870229

IUPAC2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol
SMILESCCN(CC)c1ccc(-c2nc3c(s2)C(O)CNC3)cc1
InChIInChI=1S/C16H21N3OS/c1-3-19(4-2)12-7-5-11(6-8-12)16-18-13-9-17-10-14(20)15(13)21-16/h5-8,14,17,20H,3-4,9-10H2,1-2H3
InChIKeyFALQCZRMYBTGDJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.79
Rot. Bonds4

About 2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol

2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol (PubChem CID 143870229) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol
PubChem CID143870229
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol
SMILESCCN(CC)c1ccc(-c2nc3c(s2)C(O)CNC3)cc1
InChIInChI=1S/C16H21N3OS/c1-3-19(4-2)12-7-5-11(6-8-12)16-18-13-9-17-10-14(20)15(13)21-16/h5-8,14,17,20H,3-4,9-10H2,1-2H3
InChIKeyFALQCZRMYBTGDJ-UHFFFAOYSA-N
XLogP2.79
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
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-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol?
The IUPAC name of 2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol (CID 143870229) is 2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol is CCN(CC)c1ccc(-c2nc3c(s2)C(O)CNC3)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol?
The InChIKey is FALQCZRMYBTGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-19(4-2)12-7-5-11(6-8-12)16-18-13-9-17-10-14(20)15(13)21-16/h5-8,14,17,20H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol?
2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol has a molecular weight of 303.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol is sourced from PubChem (CID 143870229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).