4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile

C18H16N4S — CID 154070935

IUPAC4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCCNCc1ccncc1-c1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C18H16N4S/c1-2-20-10-15-7-8-21-11-16(15)18-22-17(12-23-18)14-5-3-13(9-19)4-6-14/h3-8,11-12,20H,2,10H2,1H3
InChIKeyRPGSBMSUFKVUJF-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.85
Rot. Bonds5

About 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile

4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 154070935) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID154070935
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCCNCc1ccncc1-c1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C18H16N4S/c1-2-20-10-15-7-8-21-11-16(15)18-22-17(12-23-18)14-5-3-13(9-19)4-6-14/h3-8,11-12,20H,2,10H2,1H3
InChIKeyRPGSBMSUFKVUJF-UHFFFAOYSA-N
XLogP3.85
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-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

Related Compounds

2-(4-ethyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 86217272
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
3-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63990527
4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole
CID 90958489
4-[2-(4-aminophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 43667845
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 146190059
4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole
CID 91360116
4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 103597381
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 90735429
4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile
CID 61336305

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile (CID 154070935) is 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile is CCNCc1ccncc1-c1nc(-c2ccc(C#N)cc2)cs1.
What is the InChIKey of 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is RPGSBMSUFKVUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-2-20-10-15-7-8-21-11-16(15)18-22-17(12-23-18)14-5-3-13(9-19)4-6-14/h3-8,11-12,20H,2,10H2,1H3.
What are the key properties of 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 320.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 154070935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).