3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile

C11H8FN3S — CID 63359664

IUPAC3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNc2nccs2)c(F)c1
InChIInChI=1S/C11H8FN3S/c12-10-5-8(6-13)1-2-9(10)7-15-11-14-3-4-16-11/h1-5H,7H2,(H,14,15)
InChIKeyXVPLRPQHKJCGID-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.77
Rot. Bonds3

About 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile

3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile (PubChem CID 63359664) has the molecular formula C11H8FN3S and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile
PubChem CID63359664
Molecular FormulaC11H8FN3S
Molecular Weight233.27 g/mol
Exact Mass233.04
IUPAC Name3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNc2nccs2)c(F)c1
InChIInChI=1S/C11H8FN3S/c12-10-5-8(6-13)1-2-9(10)7-15-11-14-3-4-16-11/h1-5H,7H2,(H,14,15)
InChIKeyXVPLRPQHKJCGID-UHFFFAOYSA-N
XLogP2.77
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]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-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
CID 62229071
3-fluoro-4-[[(5-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 63359185
2-[2-[(1,3-thiazol-2-ylamino)methyl]phenoxy]acetonitrile
CID 79046493
3-chloro-5-[(4-cyano-2-fluorophenyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 133346588
3-fluoro-4-[[(5-nitropyrimidin-2-yl)amino]methyl]benzonitrile
CID 63359181
4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 65418398
4-[(2,2-dimethylpropylamino)methyl]-3-fluorobenzonitrile
CID 61167615
4-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 63359624
4-[(4-ethylanilino)methyl]-3-fluorobenzonitrile
CID 28583209
4-[[4-(cyanomethyl)anilino]methyl]-3-fluorobenzonitrile
CID 60716258
4-[(5-bromo-2,4-difluoroanilino)methyl]-3-fluorobenzonitrile
CID 102847201
3-fluoro-4-[(3-fluoro-5-methylanilino)methyl]benzonitrile
CID 79054750

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile (CID 63359664) is 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile is N#Cc1ccc(CNc2nccs2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile?
The InChIKey is XVPLRPQHKJCGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3S/c12-10-5-8(6-13)1-2-9(10)7-15-11-14-3-4-16-11/h1-5H,7H2,(H,14,15).
What are the key properties of 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile?
3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile has a molecular weight of 233.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile is sourced from PubChem (CID 63359664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).