N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine

C15H20FN3S — CID 62768210

IUPACN-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC)c2ccccc2F)nc1C
InChIInChI=1S/C15H20FN3S/c1-4-17-10-14-11(3)18-15(20-14)19(5-2)13-9-7-6-8-12(13)16/h6-9,17H,4-5,10H2,1-3H3
InChIKeyJWTNYVBGOBFLPE-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.86
Rot. Bonds6

About N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine

N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 62768210) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID62768210
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC)c2ccccc2F)nc1C
InChIInChI=1S/C15H20FN3S/c1-4-17-10-14-11(3)18-15(20-14)19(5-2)13-9-7-6-8-12(13)16/h6-9,17H,4-5,10H2,1-3H3
InChIKeyJWTNYVBGOBFLPE-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 55112610
N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62768385
5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 63917766
N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768912
N-[[2-(2-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107111775
N,4-dimethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766679
4-chloro-N-ethyl-N-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 83157193
5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62769288
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767389
N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113459625

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine (CID 62768210) is N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine is CCNCc1sc(N(CC)c2ccccc2F)nc1C.
What is the InChIKey of N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is JWTNYVBGOBFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-4-17-10-14-11(3)18-15(20-14)19(5-2)13-9-7-6-8-12(13)16/h6-9,17H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine?
N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62768210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).