2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol

C13H14N2O2S — CID 116966779

IUPAC2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol
SMILESNC(CO)c1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C13H14N2O2S/c14-10(6-16)13-15-11(7-18-13)8-1-2-12-9(5-8)3-4-17-12/h1-2,5,7,10,16H,3-4,6,14H2
InChIKeyUSVWXLCIVCWFTD-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.74
Rot. Bonds3

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

2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116966779) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol
PubChem CID116966779
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol
SMILESNC(CO)c1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C13H14N2O2S/c14-10(6-16)13-15-11(7-18-13)8-1-2-12-9(5-8)3-4-17-12/h1-2,5,7,10,16H,3-4,6,14H2
InChIKeyUSVWXLCIVCWFTD-UHFFFAOYSA-N
XLogP1.74
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol
CID 116966777
4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
CID 116967801
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 61336845
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine
CID 134081937
2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966783
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 5160609
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol (CID 116966779) is 2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol is NC(CO)c1nc(-c2ccc3c(c2)CCO3)cs1.
What is the InChIKey of 2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is USVWXLCIVCWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-10(6-16)13-15-11(7-18-13)8-1-2-12-9(5-8)3-4-17-12/h1-2,5,7,10,16H,3-4,6,14H2.
What are the key properties of 2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol?
2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 262.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116966779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).