4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

C11H11FN2S — CID 28781046

IUPAC4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2ccc(F)cc2)cs1
InChIInChI=1S/C11H11FN2S/c1-8-14-11(7-15-8)6-13-10-4-2-9(12)3-5-10/h2-5,7,13H,6H2,1H3
InChIKeyZYNRRJSFSMITPD-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.20
Rot. Bonds3

About 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 28781046) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID28781046
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2ccc(F)cc2)cs1
InChIInChI=1S/C11H11FN2S/c1-8-14-11(7-15-8)6-13-10-4-2-9(12)3-5-10/h2-5,7,13H,6H2,1H3
InChIKeyZYNRRJSFSMITPD-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Fluoro-alpha-methyl-2-benzothiazolemethanamine
CID 10313528
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 2532933
3-fluoro-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 71857317
2-Methylthiazole-4-carboxylic acid 3-fluorophenylamide
CID 11492398
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16196298
N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453414
3-Fluoro-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 51106887
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine
CID 56702683
4-ethylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 71857372
2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-phenylacetamide
CID 71868856
3-fluoro-4-methylsulfanyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 71978009
N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 71984679

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 28781046) is 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is Cc1nc(CNc2ccc(F)cc2)cs1.
What is the InChIKey of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is ZYNRRJSFSMITPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-8-14-11(7-15-8)6-13-10-4-2-9(12)3-5-10/h2-5,7,13H,6H2,1H3.
What are the key properties of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 222.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 28781046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).