2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile

C14H15N3OS — CID 96669115

IUPAC2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1cc(-c2nc(CN)sc2C#N)ccc1OC
InChIInChI=1S/C14H15N3OS/c1-3-9-6-10(4-5-11(9)18-2)14-12(7-15)19-13(8-16)17-14/h4-6H,3,8,16H2,1-2H3
InChIKeyUCCOTKZIYNGSGT-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.71
Rot. Bonds4

About 2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile

2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 96669115) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
PubChem CID96669115
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1cc(-c2nc(CN)sc2C#N)ccc1OC
InChIInChI=1S/C14H15N3OS/c1-3-9-6-10(4-5-11(9)18-2)14-12(7-15)19-13(8-16)17-14/h4-6H,3,8,16H2,1-2H3
InChIKeyUCCOTKZIYNGSGT-UHFFFAOYSA-N
XLogP2.71
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-4-(2-chloro-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 98022846
[5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82135501
2-(aminomethyl)-4-(2,5-dimethylphenyl)-1,3-thiazole-5-carbonitrile
CID 82478203
2-(aminomethyl)-4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-5-carbonitrile
CID 96668019
3-[3-(aminomethyl)-4-methoxyphenyl]-4-methoxybenzonitrile
CID 106951075
2-(3-ethyl-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886049
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
2-(2-aminoethyl)-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile
CID 82486195
2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 96664973
[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82289626
4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82430197
2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 82479008

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile (CID 96669115) is 2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile is CCc1cc(-c2nc(CN)sc2C#N)ccc1OC.
What is the InChIKey of 2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is UCCOTKZIYNGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-9-6-10(4-5-11(9)18-2)14-12(7-15)19-13(8-16)17-14/h4-6H,3,8,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile?
2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 273.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 96669115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).