N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline

C13H15FN2S — CID 82119304

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline
SMILESCc1nc(CCNc2ccccc2F)sc1C
InChIInChI=1S/C13H15FN2S/c1-9-10(2)17-13(16-9)7-8-15-12-6-4-3-5-11(12)14/h3-6,15H,7-8H2,1-2H3
InChIKeyGHGGLGUCTJQKEJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.55
Rot. Bonds4

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline (PubChem CID 82119304) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline
PubChem CID82119304
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline
SMILESCc1nc(CCNc2ccccc2F)sc1C
InChIInChI=1S/C13H15FN2S/c1-9-10(2)17-13(16-9)7-8-15-12-6-4-3-5-11(12)14/h3-6,15H,7-8H2,1-2H3
InChIKeyGHGGLGUCTJQKEJ-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
CID 110739449
4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82124919
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
CID 133369314
[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol
CID 133388292
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine
CID 112679617
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82102878
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol
CID 112679362
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
CID 105019585
2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole
CID 82490061
2-fluoro-6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 79519401
2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 134697084

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline (CID 82119304) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline is Cc1nc(CCNc2ccccc2F)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline?
The InChIKey is GHGGLGUCTJQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9-10(2)17-13(16-9)7-8-15-12-6-4-3-5-11(12)14/h3-6,15H,7-8H2,1-2H3.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline has a molecular weight of 250.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 82119304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).