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

C12H11N3O2S — CID 116966777

IUPAC2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol
SMILESNC(CO)c1nc(-c2ccc3ncoc3c2)cs1
InChIInChI=1S/C12H11N3O2S/c13-8(4-16)12-15-10(5-18-12)7-1-2-9-11(3-7)17-6-14-9/h1-3,5-6,8,16H,4,13H2
InChIKeyNJGIEYPPWOGDHM-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.94
Rot. Bonds3

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

2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116966777) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol
PubChem CID116966777
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol
SMILESNC(CO)c1nc(-c2ccc3ncoc3c2)cs1
InChIInChI=1S/C12H11N3O2S/c13-8(4-16)12-15-10(5-18-12)7-1-2-9-11(3-7)17-6-14-9/h1-3,5-6,8,16H,4,13H2
InChIKeyNJGIEYPPWOGDHM-UHFFFAOYSA-N
XLogP1.94
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol
CID 116966779
2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone
CID 116867478
2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966783
[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine
CID 116892346
[1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23944152
2-amino-3-[2-(1,3-benzoxazol-6-yl)ethylamino]propan-1-ol
CID 115120857
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
6-phenyl-1,3-benzoxazole
CID 19026755
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 61336845
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine
CID 134081937
1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 61338017

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol (CID 116966777) is 2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol is NC(CO)c1nc(-c2ccc3ncoc3c2)cs1.
What is the InChIKey of 2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is NJGIEYPPWOGDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-8(4-16)12-15-10(5-18-12)7-1-2-9-11(3-7)17-6-14-9/h1-3,5-6,8,16H,4,13H2.
What are the key properties of 2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol?
2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 261.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116966777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).