5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile

C19H16N2OS — CID 141399803

IUPAC5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
SMILESCc1cccc(-c2nsc(Oc3cc(C)ccc3C)c2C#N)c1
InChIInChI=1S/C19H16N2OS/c1-12-5-4-6-15(9-12)18-16(11-20)19(23-21-18)22-17-10-13(2)7-8-14(17)3/h4-10H,1-3H3
InChIKeyNEVIMFYUWGOUOF-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.40
Rot. Bonds3

About 5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile

5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile (PubChem CID 141399803) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
PubChem CID141399803
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
SMILESCc1cccc(-c2nsc(Oc3cc(C)ccc3C)c2C#N)c1
InChIInChI=1S/C19H16N2OS/c1-12-5-4-6-15(9-12)18-16(11-20)19(23-21-18)22-17-10-13(2)7-8-14(17)3/h4-10H,1-3H3
InChIKeyNEVIMFYUWGOUOF-UHFFFAOYSA-N
XLogP5.40
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile
CID 141277389
5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile
CID 141277358
3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
CID 133424572
3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
CID 10988209
3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
CID 141277348
N'-[4-[[3-(4-chlorophenyl)-4-cyano-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66691364
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
N'-[2-chloro-4-[[4-cyano-3-(4-fluorophenyl)-1,2-thiazol-5-yl]oxy]-5-methylphenyl]-N,N-dimethylmethanimidamide
CID 66691308
3-chloro-5-(5-methyl-2-nitrophenoxy)-1,2-thiazole-4-carbonitrile
CID 133426077
3,6-dichloro-4-(2,5-dimethylphenoxy)-5-methoxybenzene-1,2-dicarbonitrile
CID 155755522
1-(2,5-dimethylphenoxy)-4-phenylphthalazine
CID 12797806
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile (CID 141399803) is 5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile is Cc1cccc(-c2nsc(Oc3cc(C)ccc3C)c2C#N)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile?
The InChIKey is NEVIMFYUWGOUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-12-5-4-6-15(9-12)18-16(11-20)19(23-21-18)22-17-10-13(2)7-8-14(17)3/h4-10H,1-3H3.
What are the key properties of 5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile?
5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile has a molecular weight of 320.42 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 141399803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).