2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile

C15H16N2O2S — CID 82435118

IUPAC2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2nc(C(C)C)c(C#N)s2)c1
InChIInChI=1S/C15H16N2O2S/c1-9(2)14-13(8-16)20-15(17-14)11-7-10(18-3)5-6-12(11)19-4/h5-7,9H,1-4H3
InChIKeySEUGGXAWKVAYJK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.82
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile

2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile (PubChem CID 82435118) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
PubChem CID82435118
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2nc(C(C)C)c(C#N)s2)c1
InChIInChI=1S/C15H16N2O2S/c1-9(2)14-13(8-16)20-15(17-14)11-7-10(18-3)5-6-12(11)19-4/h5-7,9H,1-4H3
InChIKeySEUGGXAWKVAYJK-UHFFFAOYSA-N
XLogP3.82
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82435121
4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82437470
2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82424538
6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219222
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
3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile
CID 82121444
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822
4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile
CID 82434036
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219220
2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole
CID 63383412

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile (CID 82435118) is 2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile is COc1ccc(OC)c(-c2nc(C(C)C)c(C#N)s2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
The InChIKey is SEUGGXAWKVAYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9(2)14-13(8-16)20-15(17-14)11-7-10(18-3)5-6-12(11)19-4/h5-7,9H,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile has a molecular weight of 288.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82435118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).