2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol

C13H12N4OS — CID 118736870

IUPAC2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol
SMILESOCCNc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C13H12N4OS/c18-4-3-15-13-10-5-9(12-6-14-8-19-12)1-2-11(10)16-7-17-13/h1-2,5-8,18H,3-4H2,(H,15,16,17)
InChIKeyWAIGMRDWHSXRKD-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.16
Rot. Bonds4

About 2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol

2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol (PubChem CID 118736870) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol
PubChem CID118736870
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol
SMILESOCCNc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C13H12N4OS/c18-4-3-15-13-10-5-9(12-6-14-8-19-12)1-2-11(10)16-7-17-13/h1-2,5-8,18H,3-4H2,(H,15,16,17)
InChIKeyWAIGMRDWHSXRKD-UHFFFAOYSA-N
XLogP2.16
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol (CID 118736870) is 2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol is OCCNc1ncnc2ccc(-c3cncs3)cc12.
What is the InChIKey of 2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol?
The InChIKey is WAIGMRDWHSXRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c18-4-3-15-13-10-5-9(12-6-14-8-19-12)1-2-11(10)16-7-17-13/h1-2,5-8,18H,3-4H2,(H,15,16,17).
What are the key properties of 2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol?
2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol has a molecular weight of 272.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 118736870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).