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

C12H11N3S — CID 82474151

IUPAC2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile
SMILESCc1ccccc1-c1sc(CN)nc1C#N
InChIInChI=1S/C12H11N3S/c1-8-4-2-3-5-9(8)12-10(6-13)15-11(7-14)16-12/h2-5H,7,14H2,1H3
InChIKeyLSKQJJXSVFPLKI-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.45
Rot. Bonds2

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

2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile (PubChem CID 82474151) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile
PubChem CID82474151
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile
SMILESCc1ccccc1-c1sc(CN)nc1C#N
InChIInChI=1S/C12H11N3S/c1-8-4-2-3-5-9(8)12-10(6-13)15-11(7-14)16-12/h2-5H,7,14H2,1H3
InChIKeyLSKQJJXSVFPLKI-UHFFFAOYSA-N
XLogP2.45
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile
CID 82480749
2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 82479008
2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile
CID 82483133
[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106451
[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106600
2-(aminomethyl)-4-(2,5-dimethylphenyl)-1,3-thiazole-5-carbonitrile
CID 82478203
[5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 39351015
[2-(2-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64718144
2-bromo-4-methyl-5-(2-methylphenyl)-1,3-thiazole
CID 82134123
3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile
CID 164523722
(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)methanamine
CID 39240932
[6-(2-methylphenyl)-2-pyridinyl]methanamine
CID 82505844

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile (CID 82474151) is 2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile is Cc1ccccc1-c1sc(CN)nc1C#N.
What is the InChIKey of 2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile?
The InChIKey is LSKQJJXSVFPLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-8-4-2-3-5-9(8)12-10(6-13)15-11(7-14)16-12/h2-5H,7,14H2,1H3.
What are the key properties of 2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile?
2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile has a molecular weight of 229.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 82474151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).