4-(5-amino-1,3-thiazol-4-yl)benzonitrile

C10H7N3S — CID 62081865

IUPAC4-(5-amino-1,3-thiazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2ncsc2N)cc1
InChIInChI=1S/C10H7N3S/c11-5-7-1-3-8(4-2-7)9-10(12)14-6-13-9/h1-4,6H,12H2
InChIKeyAHKWVUAGZONWIS-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.26
Rot. Bonds1

About 4-(5-amino-1,3-thiazol-4-yl)benzonitrile

4-(5-amino-1,3-thiazol-4-yl)benzonitrile (PubChem CID 62081865) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-(5-amino-1,3-thiazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-amino-1,3-thiazol-4-yl)benzonitrile
PubChem CID62081865
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name4-(5-amino-1,3-thiazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2ncsc2N)cc1
InChIInChI=1S/C10H7N3S/c11-5-7-1-3-8(4-2-7)9-10(12)14-6-13-9/h1-4,6H,12H2
InChIKeyAHKWVUAGZONWIS-UHFFFAOYSA-N
XLogP2.26
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
CID 68627082
2-(5-amino-1,3-thiazol-4-yl)benzonitrile
CID 107936704
5-(4-cyanophenyl)-1,3-thiazole-4-carboxylic acid
CID 168950758
4-(6-amino-3-bromo-2-pyridinyl)benzonitrile
CID 122582132
4-(3-hydrazinylpyrazin-2-yl)benzonitrile
CID 112559470
4-(1,3,4-thiadiazol-2-yl)benzonitrile
CID 70003494
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-amino(13C)benzonitrile
CID 10080388
4-[2-(4-aminophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 43667845
4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile
CID 134439924
4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine
CID 62082202
4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid
CID 90440272

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3-thiazol-4-yl)benzonitrile?
The IUPAC name of 4-(5-amino-1,3-thiazol-4-yl)benzonitrile (CID 62081865) is 4-(5-amino-1,3-thiazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(5-amino-1,3-thiazol-4-yl)benzonitrile?
The canonical SMILES for 4-(5-amino-1,3-thiazol-4-yl)benzonitrile is N#Cc1ccc(-c2ncsc2N)cc1.
What is the InChIKey of 4-(5-amino-1,3-thiazol-4-yl)benzonitrile?
The InChIKey is AHKWVUAGZONWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c11-5-7-1-3-8(4-2-7)9-10(12)14-6-13-9/h1-4,6H,12H2.
What are the key properties of 4-(5-amino-1,3-thiazol-4-yl)benzonitrile?
4-(5-amino-1,3-thiazol-4-yl)benzonitrile has a molecular weight of 201.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3-thiazol-4-yl)benzonitrile is sourced from PubChem (CID 62081865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).