5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile

C12H11N3OS — CID 65336309

IUPAC5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile
SMILESCOc1ccc(-c2nc(C)sc2N)cc1C#N
InChIInChI=1S/C12H11N3OS/c1-7-15-11(12(14)17-7)8-3-4-10(16-2)9(5-8)6-13/h3-5H,14H2,1-2H3
InChIKeyLEFREIYZTXIWDF-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.58
Rot. Bonds2

About 5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile

5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile (PubChem CID 65336309) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile
PubChem CID65336309
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile
SMILESCOc1ccc(-c2nc(C)sc2N)cc1C#N
InChIInChI=1S/C12H11N3OS/c1-7-15-11(12(14)17-7)8-3-4-10(16-2)9(5-8)6-13/h3-5H,14H2,1-2H3
InChIKeyLEFREIYZTXIWDF-UHFFFAOYSA-N
XLogP2.58
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-amino-2-cyclopropyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile
CID 65336405
5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile
CID 65336599
5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile
CID 65336593
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile
CID 65336015
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345
2-methyl-4-(4-phenylphenyl)-1,3-thiazol-5-amine
CID 62082548
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206
4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine
CID 62082718
5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile
CID 65340702
ethane;4-[5,10,11,16,17-pentakis(3,4-dicyanophenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaen-4-yl]benzene-1,2-dicarbonitrile
CID 142906420

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile?
The IUPAC name of 5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile (CID 65336309) is 5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile.
What is the SMILES notation for 5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile?
The canonical SMILES for 5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile is COc1ccc(-c2nc(C)sc2N)cc1C#N.
What is the InChIKey of 5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile?
The InChIKey is LEFREIYZTXIWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-7-15-11(12(14)17-7)8-3-4-10(16-2)9(5-8)6-13/h3-5H,14H2,1-2H3.
What are the key properties of 5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile?
5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile is sourced from PubChem (CID 65336309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).