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

C10H7N3S — CID 107936704

IUPAC2-(5-amino-1,3-thiazol-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ncsc1N
InChIInChI=1S/C10H7N3S/c11-5-7-3-1-2-4-8(7)9-10(12)14-6-13-9/h1-4,6H,12H2
InChIKeyFELNMZJESDQFCA-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.26
Rot. Bonds1

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

2-(5-amino-1,3-thiazol-4-yl)benzonitrile (PubChem CID 107936704) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(5-amino-1,3-thiazol-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(5-amino-1,3-thiazol-4-yl)benzonitrile
PubChem CID107936704
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name2-(5-amino-1,3-thiazol-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ncsc1N
InChIInChI=1S/C10H7N3S/c11-5-7-3-1-2-4-8(7)9-10(12)14-6-13-9/h1-4,6H,12H2
InChIKeyFELNMZJESDQFCA-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-(5-amino-1,3-thiazol-4-yl)benzonitrile
CID 62081865
2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile
CID 39818616
2-(7-hydroxy-1,3-benzothiazol-6-yl)benzonitrile
CID 175011567
2-(2-aminoquinazolin-7-yl)benzonitrile
CID 166358266
2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile
CID 107936690
2-(2,6-diamino-4-pyridinyl)benzonitrile
CID 22629705
2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile
CID 107936695
2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile
CID 69252430
2-(5-amino-1H-pyrazol-4-yl)benzonitrile
CID 117279793
1,3-benzothiazole-7-carbonitrile
CID 69455274
2-[6-[2,3-bis(2-cyanophenyl)quinoxalin-6-yl]-3-(2-cyanophenyl)quinoxalin-2-yl]benzonitrile
CID 70667457
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 118979887

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-thiazol-4-yl)benzonitrile?
The IUPAC name of 2-(5-amino-1,3-thiazol-4-yl)benzonitrile (CID 107936704) is 2-(5-amino-1,3-thiazol-4-yl)benzonitrile.
What is the SMILES notation for 2-(5-amino-1,3-thiazol-4-yl)benzonitrile?
The canonical SMILES for 2-(5-amino-1,3-thiazol-4-yl)benzonitrile is N#Cc1ccccc1-c1ncsc1N.
What is the InChIKey of 2-(5-amino-1,3-thiazol-4-yl)benzonitrile?
The InChIKey is FELNMZJESDQFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c11-5-7-3-1-2-4-8(7)9-10(12)14-6-13-9/h1-4,6H,12H2.
What are the key properties of 2-(5-amino-1,3-thiazol-4-yl)benzonitrile?
2-(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 2-(5-amino-1,3-thiazol-4-yl)benzonitrile is sourced from PubChem (CID 107936704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).