N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine

C15H20FN3S — CID 62768385

IUPACN,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)c2ccccc2F)sc1CNC
InChIInChI=1S/C15H20FN3S/c1-4-12-14(10-17-3)20-15(18-12)19(5-2)13-9-7-6-8-11(13)16/h6-9,17H,4-5,10H2,1-3H3
InChIKeyMLEJCWPGJOQGKP-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.72
Rot. Bonds6

About N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine

N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62768385) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62768385
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)c2ccccc2F)sc1CNC
InChIInChI=1S/C15H20FN3S/c1-4-12-14(10-17-3)20-15(18-12)19(5-2)13-9-7-6-8-11(13)16/h6-9,17H,4-5,10H2,1-3H3
InChIKeyMLEJCWPGJOQGKP-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117566
N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
CID 62768210
5-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 55117520
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 65486953
N,4-diethyl-N-phenyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766568
N,4-diethyl-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62767433
N-butan-2-yl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62768131
4-chloro-N-ethyl-N-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 83157193
N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113459625
N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine
CID 62284078
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117804
4-ethyl-N-(3-methoxyphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62767007

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 62768385) is N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine is CCc1nc(N(CC)c2ccccc2F)sc1CNC.
What is the InChIKey of N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is MLEJCWPGJOQGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-4-12-14(10-17-3)20-15(18-12)19(5-2)13-9-7-6-8-11(13)16/h6-9,17H,4-5,10H2,1-3H3.
What are the key properties of N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).