2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile

C12H10N2O2S — CID 82424538

IUPAC2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2ncc(C#N)s2)c1
InChIInChI=1S/C12H10N2O2S/c1-15-8-3-4-11(16-2)10(5-8)12-14-7-9(6-13)17-12/h3-5,7H,1-2H3
InChIKeyNOCPCQFPUQVQNS-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.70
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile

2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 82424538) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
PubChem CID82424538
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2ncc(C#N)s2)c1
InChIInChI=1S/C12H10N2O2S/c1-15-8-3-4-11(16-2)10(5-8)12-14-7-9(6-13)17-12/h3-5,7H,1-2H3
InChIKeyNOCPCQFPUQVQNS-UHFFFAOYSA-N
XLogP2.70
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435118
4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82437470
5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 82117371
2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole
CID 63383412
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441375
2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82435121
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 94283491
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate
CID 175452374
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile
CID 82121444

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile (CID 82424538) is 2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile is COc1ccc(OC)c(-c2ncc(C#N)s2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is NOCPCQFPUQVQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-15-8-3-4-11(16-2)10(5-8)12-14-7-9(6-13)17-12/h3-5,7H,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile?
2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 246.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82424538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).