3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile

C6H6N2OS — CID 119082530

IUPAC3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile
SMILESN#CCC(O)c1nccs1
InChIInChI=1S/C6H6N2OS/c7-2-1-5(9)6-8-3-4-10-6/h3-5,9H,1H2
InChIKeyBVOPQJIAGJLRSZ-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.09
Rot. Bonds2

About 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile

3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile (PubChem CID 119082530) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile.

Molecular Properties

Compound Name3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile
PubChem CID119082530
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile
SMILESN#CCC(O)c1nccs1
InChIInChI=1S/C6H6N2OS/c7-2-1-5(9)6-8-3-4-10-6/h3-5,9H,1H2
InChIKeyBVOPQJIAGJLRSZ-UHFFFAOYSA-N
XLogP1.09
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
3-bromo-2-(1,3-thiazol-2-yl)propanenitrile
CID 63216141
1-(1,3-thiazol-2-yl)octan-1-ol
CID 10943825
2-amino-2-(1,3-thiazol-2-yl)acetonitrile
CID 22329416
1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol
CID 67759146
2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile
CID 103375863
(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
CID 174457838
(1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 22843366
3-(1,3-thiazol-2-ylsulfanyl)butanenitrile
CID 61220077
2-(1,3-thiazol-2-yl)acetonitrile
CID 4913352
1-(1,3-thiazol-2-yl)butane-1,2,4-triol
CID 171871689

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile?
The IUPAC name of 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile (CID 119082530) is 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile.
What is the SMILES notation for 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile?
The canonical SMILES for 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile is N#CCC(O)c1nccs1.
What is the InChIKey of 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile?
The InChIKey is BVOPQJIAGJLRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c7-2-1-5(9)6-8-3-4-10-6/h3-5,9H,1H2.
What are the key properties of 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile?
3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile has a molecular weight of 154.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile is sourced from PubChem (CID 119082530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).