3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile

C6H7N3OS — CID 65272927

IUPAC3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile
SMILESCc1nsc(C(C#N)CO)n1
InChIInChI=1S/C6H7N3OS/c1-4-8-6(11-9-4)5(2-7)3-10/h5,10H,3H2,1H3
InChIKeyGMFQFSYPPXZBKG-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.45
Rot. Bonds2

About 3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile

3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile (PubChem CID 65272927) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile
PubChem CID65272927
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile
SMILESCc1nsc(C(C#N)CO)n1
InChIInChI=1S/C6H7N3OS/c1-4-8-6(11-9-4)5(2-7)3-10/h5,10H,3H2,1H3
InChIKeyGMFQFSYPPXZBKG-UHFFFAOYSA-N
XLogP0.45
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-(Propan-2-yl)-1,2,4-thiadiazol-5-yl)methanol
CID 17832025
3-Hydroxy-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propanenitrile
CID 107306020
5-(3-Hydroxypropyl)-3-methyl-1,2,4-thiadiazole
CID 18967881
2-(3-Methyl-1,2,4-thiadiazol-5-yl)ethanol
CID 83674191
3-(2-Methoxyethyl)-5-propan-2-yl-1,2,4-thiadiazole
CID 178845697
3-Amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol
CID 65272930
1-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65273469
3-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273533
2-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
CID 65277323
2-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
CID 65277324
3-Hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanenitrile
CID 65277325
3-Hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile
CID 65277326

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile?
The IUPAC name of 3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile (CID 65272927) is 3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile.
What is the SMILES notation for 3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile?
The canonical SMILES for 3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile is Cc1nsc(C(C#N)CO)n1.
What is the InChIKey of 3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile?
The InChIKey is GMFQFSYPPXZBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c1-4-8-6(11-9-4)5(2-7)3-10/h5,10H,3H2,1H3.
What are the key properties of 3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile?
3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile has a molecular weight of 169.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanenitrile is sourced from PubChem (CID 65272927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).