2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol

C17H17N3OS — CID 44817937

IUPAC2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol
SMILESCc1cccc(N(CCO)c2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C17H17N3OS/c1-13-3-2-4-15(11-13)20(9-10-21)17-19-16(12-22-17)14-5-7-18-8-6-14/h2-8,11-12,21H,9-10H2,1H3
InChIKeyRGROKLPIHXZUOK-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.64
Rot. Bonds5

About 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol

2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol (PubChem CID 44817937) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol.

Molecular Properties

Compound Name2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol
PubChem CID44817937
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol
SMILESCc1cccc(N(CCO)c2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C17H17N3OS/c1-13-3-2-4-15(11-13)20(9-10-21)17-19-16(12-22-17)14-5-7-18-8-6-14/h2-8,11-12,21H,9-10H2,1H3
InChIKeyRGROKLPIHXZUOK-UHFFFAOYSA-N
XLogP3.64
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol?
The IUPAC name of 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol (CID 44817937) is 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol.
What is the SMILES notation for 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol?
The canonical SMILES for 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol is Cc1cccc(N(CCO)c2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol?
The InChIKey is RGROKLPIHXZUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-13-3-2-4-15(11-13)20(9-10-21)17-19-16(12-22-17)14-5-7-18-8-6-14/h2-8,11-12,21H,9-10H2,1H3.
What are the key properties of 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol?
2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol has a molecular weight of 311.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino)ethanol is sourced from PubChem (CID 44817937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).