5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile

C6H6N2OS — CID 82416630

IUPAC5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile
SMILESCC(O)c1cc(C#N)ns1
InChIInChI=1S/C6H6N2OS/c1-4(9)6-2-5(3-7)8-10-6/h2,4,9H,1H3
InChIKeyLWQMEMGVRAGKEY-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.07
Rot. Bonds1

About 5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile

5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile (PubChem CID 82416630) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile
PubChem CID82416630
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile
SMILESCC(O)c1cc(C#N)ns1
InChIInChI=1S/C6H6N2OS/c1-4(9)6-2-5(3-7)8-10-6/h2,4,9H,1H3
InChIKeyLWQMEMGVRAGKEY-UHFFFAOYSA-N
XLogP1.07
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Methyl-1,2-thiazol-5-yl)methanol
CID 14343601
1-(5-Methyl-1,2-thiazol-3-yl)ethanol
CID 45085688
2-Chloro-2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130632621
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
CID 18759003
3-Ethyl-5-isothiazolemethanol
CID 89816508
(5-Ethylisothiazol-3-yl)methanol
CID 164719542
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 112489533
3-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 126985727
Hydroxy(3-methyl-1,2-thiazol-5-yl)acetonitrile
CID 130132662
1-(3-Methyl-1,2-thiazol-5-yl)butane-1,2-diol
CID 130621249
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
CID 130646530

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile?
The IUPAC name of 5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile (CID 82416630) is 5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile.
What is the SMILES notation for 5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile?
The canonical SMILES for 5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile is CC(O)c1cc(C#N)ns1.
What is the InChIKey of 5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile?
The InChIKey is LWQMEMGVRAGKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-4(9)6-2-5(3-7)8-10-6/h2,4,9H,1H3.
What are the key properties of 5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile?
5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile has a molecular weight of 154.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-1,2-thiazole-3-carbonitrile is sourced from PubChem (CID 82416630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).