2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile

C16H18N2O2S — CID 82435121

IUPAC2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
SMILESCOc1ccc(OC)c(-c2nc(C(C)C)c(CC#N)s2)c1
InChIInChI=1S/C16H18N2O2S/c1-10(2)15-14(7-8-17)21-16(18-15)12-9-11(19-3)5-6-13(12)20-4/h5-6,9-10H,7H2,1-4H3
InChIKeyUOJLWJPXHZFNCH-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.02
Rot. Bonds5

About 2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile

2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82435121) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
PubChem CID82435121
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
SMILESCOc1ccc(OC)c(-c2nc(C(C)C)c(CC#N)s2)c1
InChIInChI=1S/C16H18N2O2S/c1-10(2)15-14(7-8-17)21-16(18-15)12-9-11(19-3)5-6-13(12)20-4/h5-6,9-10H,7H2,1-4H3
InChIKeyUOJLWJPXHZFNCH-UHFFFAOYSA-N
XLogP4.02
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.02
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
2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441375
2-[2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82433828
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430342
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434875
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114364975
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434874
2-[2-[(3,4-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82434223
N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427321
2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82424538

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile (CID 82435121) is 2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile is COc1ccc(OC)c(-c2nc(C(C)C)c(CC#N)s2)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is UOJLWJPXHZFNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10(2)15-14(7-8-17)21-16(18-15)12-9-11(19-3)5-6-13(12)20-4/h5-6,9-10H,7H2,1-4H3.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile?
2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 302.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82435121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).