4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile

C12H10N2OS — CID 63379357

IUPAC4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCC(O)c1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C12H10N2OS/c1-8(15)12-14-11(7-16-12)10-4-2-9(6-13)3-5-10/h2-5,7-8,15H,1H3
InChIKeyOOXCJTPXNZIPAE-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.74
Rot. Bonds2

About 4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile

4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 63379357) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile
PubChem CID63379357
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCC(O)c1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C12H10N2OS/c1-8(15)12-14-11(7-16-12)10-4-2-9(6-13)3-5-10/h2-5,7-8,15H,1H3
InChIKeyOOXCJTPXNZIPAE-UHFFFAOYSA-N
XLogP2.74
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
CID 55183999
4-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 62942163
1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 63379443
4-[2-(propan-2-yldiazenyl)-1,3-thiazol-4-yl]benzonitrile
CID 123990633
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanenitrile
CID 177341578
4-[2-(4-aminophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 43667845
4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile
CID 61336305
4-[2-[cyano-[2-(cyclopropylamino)pyrimidin-4-yl]methyl]-1,3-thiazol-4-yl]benzonitrile
CID 91572365
4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 103597381
4-[2-[1-cyano-4-(furan-2-yl)-2-oxobutyl]-1,3-thiazol-4-yl]benzonitrile
CID 47597203
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanenitrile
CID 116967451

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile (CID 63379357) is 4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile is CC(O)c1nc(-c2ccc(C#N)cc2)cs1.
What is the InChIKey of 4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is OOXCJTPXNZIPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-8(15)12-14-11(7-16-12)10-4-2-9(6-13)3-5-10/h2-5,7-8,15H,1H3.
What are the key properties of 4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile?
4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 230.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 63379357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).