3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile

C18H12N6S — CID 10132256

IUPAC3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2ccnc2)c1
InChIInChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)
InChIKeyPWPMYBIVOMROSC-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.01
Rot. Bonds4

About 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile

3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 10132256) has the molecular formula C18H12N6S and a molecular weight of 344.40 g/mol. Its IUPAC name is 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile
PubChem CID10132256
Molecular FormulaC18H12N6S
Molecular Weight344.40 g/mol
Exact Mass344.08
IUPAC Name3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2ccnc2)c1
InChIInChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)
InChIKeyPWPMYBIVOMROSC-UHFFFAOYSA-N
XLogP4.01
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile (CID 10132256) is 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile is N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2ccnc2)c1.
What is the InChIKey of 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is PWPMYBIVOMROSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23).
What are the key properties of 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile?
3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 344.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-imidazol-1-yl-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 10132256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).