2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile

C14H14FN3S — CID 103758436

IUPAC2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile
SMILESCc1nc(CN(C)Cc2ccc(F)c(C#N)c2)cs1
InChIInChI=1S/C14H14FN3S/c1-10-17-13(9-19-10)8-18(2)7-11-3-4-14(15)12(5-11)6-16/h3-5,9H,7-8H2,1-2H3
InChIKeySRUNVTDJLWGWGN-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.09
Rot. Bonds4

About 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile

2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile (PubChem CID 103758436) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile
PubChem CID103758436
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile
SMILESCc1nc(CN(C)Cc2ccc(F)c(C#N)c2)cs1
InChIInChI=1S/C14H14FN3S/c1-10-17-13(9-19-10)8-18(2)7-11-3-4-14(15)12(5-11)6-16/h3-5,9H,7-8H2,1-2H3
InChIKeySRUNVTDJLWGWGN-UHFFFAOYSA-N
XLogP3.09
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]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-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzonitrile
CID 81282821
2-bromo-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]aniline
CID 113335112
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567
2-fluoro-5-[[2-hydroxypropyl(methyl)amino]methyl]benzonitrile
CID 103758717
4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-2-nitroaniline
CID 62209250
2-fluoro-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]benzonitrile
CID 113256156
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine
CID 75470714
2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]benzonitrile
CID 103758430
5-chloro-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]aniline
CID 62101572
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzonitrile
CID 64540970
2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 103758312
[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86855864

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile (CID 103758436) is 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile is Cc1nc(CN(C)Cc2ccc(F)c(C#N)c2)cs1.
What is the InChIKey of 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile?
The InChIKey is SRUNVTDJLWGWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-10-17-13(9-19-10)8-18(2)7-11-3-4-14(15)12(5-11)6-16/h3-5,9H,7-8H2,1-2H3.
What are the key properties of 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile?
2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile has a molecular weight of 275.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 103758436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).