2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile

C5H4N2O2S — CID 123244636

IUPAC2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile
SMILESN#CCn1c(O)csc1=O
InChIInChI=1S/C5H4N2O2S/c6-1-2-7-4(8)3-10-5(7)9/h3,8H,2H2
InChIKeyUXWOOWOSXDRPOV-UHFFFAOYSA-N
MW156.17 g/mol
LogP0.14
Rot. Bonds1

About 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile

2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile (PubChem CID 123244636) has the molecular formula C5H4N2O2S and a molecular weight of 156.17 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile
PubChem CID123244636
Molecular FormulaC5H4N2O2S
Molecular Weight156.17 g/mol
Exact Mass156.00
IUPAC Name2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile
SMILESN#CCn1c(O)csc1=O
InChIInChI=1S/C5H4N2O2S/c6-1-2-7-4(8)3-10-5(7)9/h3,8H,2H2
InChIKeyUXWOOWOSXDRPOV-UHFFFAOYSA-N
XLogP0.14
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-3-(isocyanomethyl)-1,3-thiazol-2-one
CID 124035652
4-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 53709471
3-Ethyl-4-hydroxy-1,3-thiazol-2-one
CID 54276559
3-Ethenyl-4-hydroxy-1,3-thiazol-2-one
CID 91061233
3-[2-(Dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one
CID 123700873
2-cyano-2H-1,3-thiazole-3-carboxylic acid
CID 155296467
2-(2-Oxo-1,3-thiazol-3-yl)acetonitrile
CID 63312353

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile?
The IUPAC name of 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile (CID 123244636) is 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile?
The canonical SMILES for 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile is N#CCn1c(O)csc1=O.
What is the InChIKey of 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile?
The InChIKey is UXWOOWOSXDRPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2S/c6-1-2-7-4(8)3-10-5(7)9/h3,8H,2H2.
What are the key properties of 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile?
2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile has a molecular weight of 156.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile is sourced from PubChem (CID 123244636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).